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3-Phenyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 3jvrn0GN4pX
InChI InChI=1S/C22H24O4S/c1-25-20(23)22(21(24)26-2)13-17(15-27-18-11-7-4-8-12-18)19(14-22)16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3
InChIKey WXJHBOQOVTWDQC-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C22H24O4S
Exact Mass 384.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4evVPxAWzH
Name 3-Phenyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4S
InChI InChI=1S/C22H24O4S/c1-25-20(23)22(21(24)26-2)13-17(15-27-18-11-7-4-8-12-18)19(14-22)16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3
InChIKey WXJHBOQOVTWDQC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 384.490 g/mol
SMILES C1(CC(C(C1)CSc1ccccc1)c1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-014i-9211000000-98904e6a81a2f556255b
Source of Spectrum ASC-347-1587/SM10-3e
Synonyms Dimethyl 3-phenyl-4-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate
Wiley ID 1767767