(Z)-Methyl 2-nitromethyl-3-[2-N-(triphenylphosphoranylidene)phenyl]-propenoate

SpectraBase Compound ID	FChdxuZyBdb
InChI	InChI=1S/C29H25N2O4P/c1-35-29(32)24(22-31(33)34)21-23-13-11-12-20-28(23)30-36(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-21H,22H2,1H3/b24-21-
InChIKey	UNINQJMIAZYLNH-FLFQWRMESA-N Google Search
Mol Weight	496.5 g/mol
Molecular Formula	C29H25N2O4P
Exact Mass	496.155194 g/mol

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SpectraBase Spectrum ID	1GeOKUYYM9B
Name	(Z)-Methyl 2-nitromethyl-3-[2-N-(triphenylphosphoranylidene)phenyl]-propenoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	496.155194287 u
Formula	C29H25N2O4P
InChI	InChI=1S/C29H25N2O4P/c1-35-29(32)24(22-31(33)34)21-23-13-11-12-20-28(23)30-36(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-21H,22H2,1H3/b24-21-
InChIKey	UNINQJMIAZYLNH-FLFQWRMESA-N
Molecular Weight	496.503 g/mol
SMILES	C=1(\C=C/(C(=O)OC)CN(=O)=O)C(N=P(C=2C=CC=CC2)(C=2C=CC=CC2)C2=CC=CC=C2)=CC=CC1