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Ethyl 5-cyano-4-[(triphenylphosphoranylidene)amino]-1-phenyl-1,4-dihydropyrazol-3-carboxylate
SpectraBase Compound ID EGF6rOqS9UZ
InChI InChI=1S/C31H25N4O2P/c1-2-37-31(36)30-29(28(23-32)35(33-30)24-15-7-3-8-16-24)34-38(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2H2,1H3
InChIKey UCJZMNBAWYSXJH-UHFFFAOYSA-N
Mol Weight 516.54 g/mol
Molecular Formula C31H25N4O2P
Exact Mass 516.171513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EK50k7pOuvO
Name Ethyl 5-cyano-4-[(triphenylphosphoranylidene)amino]-1-phenyl-1,4-dihydropyrazol-3-carboxylate
Alternate Name(s) Ethyl 5-cyano-1-phenyl-4-((triphenylphosphoranylidene)amino)-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25N4O2P
InChI InChI=1S/C31H25N4O2P/c1-2-37-31(36)30-29(28(23-32)35(33-30)24-15-7-3-8-16-24)34-38(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2H2,1H3
InChIKey UCJZMNBAWYSXJH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201200142
Molecular Weight 516.541 g/mol
SMILES c1(c(c([n](n1)-c1ccccc1)C#N)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-00kr-1070970000-98f6cdfcc37f3c3f8f17
Source of Spectrum APC-345-890-2
Wiley ID 1769277