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1,3-Dimethyl-4-[2'-(triphenylphosphoranylidene)-1'-oxoethyl]fpyrazol-5-one
SpectraBase Compound ID AnrOX4vM2Ql
InChI InChI=1S/C25H23N2O2P/c1-19-24(25(29)27(2)26-19)23(28)18-30(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,24H,1-2H3
InChIKey BKBKFFKIZQLRRB-UHFFFAOYSA-N
Mol Weight 414.44 g/mol
Molecular Formula C25H23N2O2P
Exact Mass 414.149715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HSW3kFmsa
Name 1,3-Dimethyl-4-[2'-(triphenylphosphoranylidene)-1'-oxoethyl]fpyrazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N2O2P
InChI InChI=1S/C25H23N2O2P/c1-19-24(25(29)27(2)26-19)23(28)18-30(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,24H,1-2H3
InChIKey BKBKFFKIZQLRRB-UHFFFAOYSA-N
Molecular Weight 414.445 g/mol
SMILES C1(N(N=C(C1C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)C)C)=O
SPLASH splash10-0ugi-0943100000-2ca9a3b541fc5296f201
Source of Spectrum KC-0-1728-17
Synonyms 1,3-Dimethyl-4-[2'-(triphenyl-phosphoranylidene)-1'-oxo-ethyl]-pyrazol-5-one
Wiley ID 831201