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6th May 2012 @ 17:08
Spectroscopic Method: MS-ESI
Substituent: Methoxy
MS Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

MS Spectrum of 3-(3-Methoxyphenyl) 1, 3-Dihydroindol-2H-one

The mass spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one has been obtained by positive electrospray ionization (ESI). The peak at m/e = 252.2 confirms the molecular mass of this compound as the molecular ion gains a proton.

Interpretation of MS Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

Peak PositionDiff. between molecular mass and peakSuspected molecules or ionsInference
252.2252 – 251 = 1(M+H)+Compound gains a proton.
293.2293 - 251 = 42(M+H+Na+H2O)+ Na(23), H2O (18)Sodium & H+ ions and water molecule attach to the compound.
315.2315-251=64(M+HCOOH+H2O)+Molecular ion gains formic acid and water molecule.
Attached Files
6th May 2012 @ 16:11
Spectroscopic Method: HPLC
Substituent: Methoxy
HPLC Chromatogram of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

HPLC Chromatogram of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one

The High Performance Liquid Chromatography chromatogram of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one shows a single sharp peak at 5.956 retention time which confirms that a single isomer has been isolated in this compound. The peaks at 3.600 and 6.794 retention times are due impurities. The percentage area peak of this single isomer confirms the percentage yield of this compound to be 64.53% which is in line with the calculated percentage yield of 65%.
Attached Files
6th May 2012 @ 15:12
Spectroscopic Method: ATIR-FT-IR
Substituent: Methoxy
ATIR-FT-IR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one

ATIR-FT-IR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one

Interpretation of ATIR-FT-IR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

ATIRFT-IR Wave Number (cm-1)AssignmentRemarks
3146N-H stretching vibration
(v(N-H) (1o amide)
Symmetrical stretching vibration of the NH2
3072=C=CH2C-H stretching: sometimes obscured by the much stronger bands of C-H groups which occur below 3000cm-1
3026=C-HDue to =C-H in the region
2900-CO-CH3Often very weak appears within the region of 3100-2900cm-1
1696=CO stretching vibration (v(C=C)Attributed to the carbonyl functional group.
1600Aromatic ringsStronger when the ring is further conjugated.
1362-O-CH3Due to methyl group. The high intensity of these band often dominates this region of spectrum
744Ortho disubstitution on the benzene ringDue to the condensed ring system and for pyridines and the powerful substituents tend to shift the values to higher frequency.
Attached Files
3rd May 2012 @ 11:27
Spectroscopic Method: C-NMR
Substituent: Methoxy
13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one

13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one
13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one PDF
13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one ascii data
13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one Jeol Delta data
13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one JCAMP-DX data

13C NMR Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one peak Chemical Shifts/ppm
55.4, 77.0, 110.1, 114.1, 114.1, 121.7, 122.0, 122.7, 125.6, 127.2, 129.4, 131.5, 137.7, 141.3, 160.9, 170.5
Attached Files
27th March 2012 @ 11:35
Substituent: Methoxy;Methyl;Nitro;Chloro;Bromo
Spectroscopic Method: PXRD
PXRD Diffraction Peaks of Five 4-Substituted Methylidene oxindoles

XPRD Diffraction peaks
Attached Files