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3-(3-Indol-3-yl-1-methylpropylidene)carbazic acid, benzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(3-Indol-3-yl-1-methylpropylidene)carbazic acid, benzyl ester
SpectraBase Compound ID 6UTsaeZ90xM
InChI InChI=1S/C20H21N3O2/c1-15(11-12-17-13-21-19-10-6-5-9-18(17)19)22-23-20(24)25-14-16-7-3-2-4-8-16/h2-10,13,21H,11-12,14H2,1H3,(H,23,24)/b22-15+
InChIKey QXBBXRCTIGBJJX-PXLXIMEGSA-N
Mol Weight 335.41 g/mol
Molecular Formula C20H21N3O2
Exact Mass 335.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjPlfV3eliJ
Name 3-(3-Indol-3-yl-1-methylpropylidene)carbazic acid, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.163376926 u
Formula C20H21N3O2
InChI InChI=1S/C20H21N3O2/c1-15(11-12-17-13-21-19-10-6-5-9-18(17)19)22-23-20(24)25-14-16-7-3-2-4-8-16/h2-10,13,21H,11-12,14H2,1H3,(H,23,24)/b22-15+
InChIKey QXBBXRCTIGBJJX-PXLXIMEGSA-N
Molecular Weight 335.407 g/mol
SMILES N(\N=C\(CCC=1C=2C=CC=CC2NC1)C)C(=O)OCC=1C=CC=CC1