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1-Benzylindole-3-carboxylic acid, (1-cyclopropylethylidene)hydrazide
SpectraBase Compound ID 9OOOxFwgnMB
InChI InChI=1S/C21H21N3O/c1-15(17-11-12-17)22-23-21(25)19-14-24(13-16-7-3-2-4-8-16)20-10-6-5-9-18(19)20/h2-10,14,17H,11-13H2,1H3,(H,23,25)/b22-15+
InChIKey LOWDOYGJPJFCKX-PXLXIMEGSA-N
Mol Weight 331.42 g/mol
Molecular Formula C21H21N3O
Exact Mass 331.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5fSD53MZkw
Name 1-Benzylindole-3-carboxylic acid, (1-cyclopropylethylidene)hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 331.168462307 u
Formula C21H21N3O
InChI InChI=1S/C21H21N3O/c1-15(17-11-12-17)22-23-21(25)19-14-24(13-16-7-3-2-4-8-16)20-10-6-5-9-18(19)20/h2-10,14,17H,11-13H2,1H3,(H,23,25)/b22-15+
InChIKey LOWDOYGJPJFCKX-PXLXIMEGSA-N
Molecular Weight 331.419 g/mol
SMILES N(C(C=1C=2C=CC=CC2N(C1)CC=1C=CC=CC1)=O)\N=C\(C1CC1)C