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Phenyl 2-(2-cyano-2-phenylhydrazonoacetamido)-3-(1H-indol-3-yl)propanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phenyl 2-(2-cyano-2-phenylhydrazonoacetamido)-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID AduSGG5mlaR
InChI InChI=1S/C26H21N5O3/c27-16-24(31-30-19-9-3-1-4-10-19)25(32)29-23(26(33)34-20-11-5-2-6-12-20)15-18-17-28-22-14-8-7-13-21(18)22/h1-14,17,23,28,30H,15H2,(H,29,32)/b31-24+
InChIKey ICYBAZGSKSUXJF-QFMPWRQOSA-N
Mol Weight 451.49 g/mol
Molecular Formula C26H21N5O3
Exact Mass 451.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILwJyng4ve8
Name Phenyl 2-(2-cyano-2-phenylhydrazonoacetamido)-3-(1H-indol-3-yl)propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.164439553 u
Formula C26H21N5O3
InChI InChI=1S/C26H21N5O3/c27-16-24(31-30-19-9-3-1-4-10-19)25(32)29-23(26(33)34-20-11-5-2-6-12-20)15-18-17-28-22-14-8-7-13-21(18)22/h1-14,17,23,28,30H,15H2,(H,29,32)/b31-24+
InChIKey ICYBAZGSKSUXJF-QFMPWRQOSA-N
Molecular Weight 451.486 g/mol
SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(OC1=CC=CC=C1)=O)NC(\C(C#N)=N\NC1=CC=CC=C1)=O