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Ethyl 3,4-dimethoxy-5-nitro-.alpha.[(triphenylphosphoranylidene)amino]cinnamate
SpectraBase Compound ID 5y5w7Za82uR
InChI InChI=1S/C31H29N2O6P/c1-4-39-31(34)27(20-23-21-28(33(35)36)30(38-3)29(22-23)37-2)32-40(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-22H,4H2,1-3H3/b27-20+
InChIKey NHYQUIBPKDMEHI-NHFJDJAPSA-N
Mol Weight 556.55 g/mol
Molecular Formula C31H29N2O6P
Exact Mass 556.176324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa1jooQ3CuK
Name Ethyl 3,4-dimethoxy-5-nitro-.alpha.[(triphenylphosphoranylidene)amino]cinnamate
Comments Less than 3 mono-isotopic peaks
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Formula C31H29N2O6P
InChI InChI=1S/C31H29N2O6P/c1-4-39-31(34)27(20-23-21-28(33(35)36)30(38-3)29(22-23)37-2)32-40(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-22H,4H2,1-3H3/b27-20+
InChIKey NHYQUIBPKDMEHI-NHFJDJAPSA-N
Molecular Weight 556.555 g/mol
SMILES c1(P(=N\C(=C\c2cc(N(=O)=O)c(c(c2)OC)OC)C(=O)OCC)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-0udi-0090010000-ab8df19acbfe895102b7
Source of Spectrum SO-0-1201-6
Synonyms ethyl (2E)-3-(3,4-dimethoxy-5-nitrophenyl)-2-[(triphenylphosphoranylidene)amino]-2-propenoate
Wiley ID 874097