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Ethyl 3-methylsulfanyl-1-phenyl-5-[(triphenyl-5-phosphanylidene)amino]pyrazole-4-carboxylate
SpectraBase Compound ID B3xlX2mnMq5
InChI InChI=1S/C31H28N3O2PS/c1-3-36-31(35)28-29(34(32-30(28)38-2)24-16-8-4-9-17-24)33-37(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3
InChIKey GLVGNVAUDAQQGX-UHFFFAOYSA-N
Mol Weight 537.62 g/mol
Molecular Formula C31H28N3O2PS
Exact Mass 537.163985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LODIIndHQsy
Name Ethyl 3-methylsulfanyl-1-phenyl-5-[(triphenyl-5-phosphanylidene)amino]pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N3O2PS
InChI InChI=1S/C31H28N3O2PS/c1-3-36-31(35)28-29(34(32-30(28)38-2)24-16-8-4-9-17-24)33-37(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3
InChIKey GLVGNVAUDAQQGX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20024
Molecular Weight 537.618 g/mol
SMILES c1(n[n](c(c1C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)-c1ccccc1)SC
SPLASH splash10-01q0-2970040000-ace7700ee0ea19ea3e61
Source of Spectrum HAC-15-335-2
Synonyms Ethyl 3-(methylthio)-1-phenyl-5-((triphenylphosphoranylidene)amino)-1H-pyrazole-4-carboxylate 3-(methylthio)-1-phenyl-5-(triphenylphosphoranylideneamino)-4-pyrazolecarboxylic acid ethyl ester Ethyl 3-methylsulfanyl-1-phenyl-5-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrazole-4-carboxylate
Wiley ID 1776015