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Ethyl 3-methyl-4-triphenylphosphoranylidene-4,5-dihydropyrazol-5-one-1-carboxylate
SpectraBase Compound ID BcsqFY0z2Kt
InChI InChI=1S/C25H23N2O3P/c1-3-30-25(29)27-24(28)23(19(2)26-27)31(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKey MSNIDEVKKKQALI-UHFFFAOYSA-N
Mol Weight 430.44 g/mol
Molecular Formula C25H23N2O3P
Exact Mass 430.14463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39ARDXfnwhK
Name Ethyl 3-methyl-4-triphenylphosphoranylidene-4,5-dihydropyrazol-5-one-1-carboxylate
Alternate Name(s) ethyl 3-methyl-5-oxo-4-(triphenylphosphoranylidene)-4,5-dihydro-1H-pyrazole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N2O3P
InChI InChI=1S/C25H23N2O3P/c1-3-30-25(29)27-24(28)23(19(2)26-27)31(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChIKey MSNIDEVKKKQALI-UHFFFAOYSA-N
Molecular Weight 430.444 g/mol
SMILES C1(=NN(C(C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)C(=O)OCC)C
SPLASH splash10-0a4i-0009000000-68f7851230de7643f3fc
Source of Spectrum KC-57-5859-8
Wiley ID 1624982