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Ethyl 5-(2-methylsulfanylphenyl)-3-oxo-2-triphenylphosphoranylidenepent-4-ynoate
SpectraBase Compound ID 3Yo7vZ2rMTZ
InChI InChI=1S/C32H27O3PS/c1-3-35-32(34)31(29(33)24-23-25-15-13-14-22-30(25)37-2)36(26-16-7-4-8-17-26,27-18-9-5-10-19-27)28-20-11-6-12-21-28/h4-22H,3H2,1-2H3
InChIKey JVSRUXWBSYSLMP-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C32H27O3PS
Exact Mass 522.141853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrCI4sLeYEl
Name Ethyl 5-(2-methylsulfanylphenyl)-3-oxo-2-triphenylphosphoranylidenepent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27O3PS
InChI InChI=1S/C32H27O3PS/c1-3-35-32(34)31(29(33)24-23-25-15-13-14-22-30(25)37-2)36(26-16-7-4-8-17-26,27-18-9-5-10-19-27)28-20-11-6-12-21-28/h4-22H,3H2,1-2H3
InChIKey JVSRUXWBSYSLMP-UHFFFAOYSA-N
Molecular Weight 522.599 g/mol
SMILES C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)OCC)C(C#Cc1c(SC)cccc1)=O
SPLASH splash10-001i-0964110000-2524d02d9b03fb53ed79
Source of Spectrum KC-0-2464-6
Synonyms Ethyl 5-[2-(methylsulfanyl)phenyl]-3-oxo-2-(triphenylphosphoranylidene)-4-pentynoate
Wiley ID 782069