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3-Methyl-4-(2-nitrovinyl)-1-phenyl-5-[(triphenylphosphoranyliden)amino]-1H-pyrazole
SpectraBase Compound ID G3wwv9tEo8a
InChI InChI=1S/C30H25N4O2P/c1-24-29(22-23-33(35)36)30(34(31-24)25-14-6-2-7-15-25)32-37(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23H,1H3/b23-22+
InChIKey IOSKXZHVJWBODV-GHVJWSGMSA-N
Mol Weight 504.53 g/mol
Molecular Formula C30H25N4O2P
Exact Mass 504.171513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xz01pgE5GP
Name 3-Methyl-4-(2-nitrovinyl)-1-phenyl-5-[(triphenylphosphoranyliden)amino]-1H-pyrazole
CAS Registry Number 116972-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25N4O2P
InChI InChI=1S/C30H25N4O2P/c1-24-29(22-23-33(35)36)30(34(31-24)25-14-6-2-7-15-25)32-37(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-23H,1H3/b23-22+
InChIKey IOSKXZHVJWBODV-GHVJWSGMSA-N
Molecular Weight 504.530 g/mol
SMILES c1([n](nc(c1\C=C\N(=O)=O)C)-c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-001i-0911000000-786fe69658e034839d8b
Source of Spectrum K-122-311-10
Synonyms 3-Methyl-4-[(E)-2-nitroethenyl]-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole N-{3-methyl-4-[(E)-2-nitroethenyl]-1-phenyl-1H-pyrazol-5-yl}triphenylphosphine imide
Wiley ID 1399614