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2-Carbomethoxy-(2-(phenythio)-5-phenyl-2,4-pentadienyl)-1-cyclopentanone
SpectraBase Compound ID 5Yy5DhoBypd
InChI InChI=1S/C24H24O3S/c1-27-23(26)24(17-9-16-22(24)25)18-21(28-20-13-6-3-7-14-20)15-8-12-19-10-4-2-5-11-19/h2-8,10-15H,9,16-18H2,1H3/b12-8+,21-15-
InChIKey KRFQTZFOAMMHNY-ICWNOLGCSA-N
Mol Weight 392.51 g/mol
Molecular Formula C24H24O3S
Exact Mass 392.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6COkyHfFNxt
Name 2-Carbomethoxy-(2-(phenythio)-5-phenyl-2,4-pentadienyl)-1-cyclopentanone
CAS Registry Number 85336-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O3S
InChI InChI=1S/C24H24O3S/c1-27-23(26)24(17-9-16-22(24)25)18-21(28-20-13-6-3-7-14-20)15-8-12-19-10-4-2-5-11-19/h2-8,10-15H,9,16-18H2,1H3/b12-8+,21-15-
InChIKey KRFQTZFOAMMHNY-ICWNOLGCSA-N
Molecular Weight 392.513 g/mol
SMILES C1(C(=O)OC)(C(=O)CCC1)C\C(Sc1ccccc1)=C\C=C\c1ccccc1
SPLASH splash10-0006-2911000000-2a079d9171204fc73efa
Source of Spectrum J-50-4262-46
Synonyms Methyl 2-oxo-1-[(2Z,4E)-5-phenyl-2-(phenylsulfanyl)-2,4-pentadienyl]cyclopentanecarboxylate
Wiley ID 1365942