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HDIUQHWRMVBQBO-UHFFFAOYSA-N
SpectraBase Compound ID LRMfeylq5GH
InChI InChI=1S/C31H28N5O4P/c1-24-30(25(22-34(37)38)23-35(39)40)31(36(32-24)26-14-6-2-7-15-26)33-41(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25H,22-23H2,1H3
InChIKey HDIUQHWRMVBQBO-UHFFFAOYSA-N
Mol Weight 565.57 g/mol
Molecular Formula C31H28N5O4P
Exact Mass 565.187891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5bRCYV1qmf
Name 1H-Pyrazol-5-amine, 3-methyl-4-[2-nitro-1-(nitromethyl)ethyl]-1-phenyl-N-(triphenylphosphoranylidene)-
CAS Registry Number 116972-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N5O4P
InChI InChI=1S/C31H28N5O4P/c1-24-30(25(22-34(37)38)23-35(39)40)31(36(32-24)26-14-6-2-7-15-26)33-41(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25H,22-23H2,1H3
InChIKey HDIUQHWRMVBQBO-UHFFFAOYSA-N
Molecular Weight 565.570 g/mol
SMILES c1(c(c(C)n[n]1-c1ccccc1)C(CN(=O)=O)CN(=O)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0059-5890000000-092be3ce72ad91c4d705
Source of Spectrum K-122-311-12
Synonyms 3-Methyl-4-[2-nitro-1-(nitromethyl)ethyl]-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazole N-{3-methyl-4-[2-nitro-1-(nitromethyl)ethyl]-1-phenyl-1H-pyrazol-5-yl}triphenylphosphine imide
Wiley ID 1407235