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 Google Search
Mol Weight	414.44 g/mol
Molecular Formula	C25H23N2O2P
Exact Mass	414.149715 g/mol

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SpectraBase Spectrum ID	C5qe58nHHZy
Name	1,3-Dimethyl-4-[2'-(triphenylphosphoranylidene)-1'-oxoethyl]fpyrazol-5-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	414.149714985 u
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(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O)C)C)=O