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trans-Methyl 2,3-bis(phenylthio)-3-cyclohexenecarboxylate
SpectraBase Compound ID C80UsFClXUr
InChI InChI=1S/C20H20O2S2/c1-22-20(21)17-13-8-14-18(23-15-9-4-2-5-10-15)19(17)24-16-11-6-3-7-12-16/h2-7,9-12,14,17,19H,8,13H2,1H3/t17-,19+/m1/s1
InChIKey DXXAOKOITZDYOI-MJGOQNOKSA-N
Mol Weight 356.5 g/mol
Molecular Formula C20H20O2S2
Exact Mass 356.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFwkPEe1F8V
Name trans-Methyl 2,3-bis(phenylthio)-3-cyclohexenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2S2
InChI InChI=1S/C20H20O2S2/c1-22-20(21)17-13-8-14-18(23-15-9-4-2-5-10-15)19(17)24-16-11-6-3-7-12-16/h2-7,9-12,14,17,19H,8,13H2,1H3/t17-,19+/m1/s1
InChIKey DXXAOKOITZDYOI-MJGOQNOKSA-N
Molecular Weight 356.498 g/mol
SMILES [C@]1([C@](C(=O)OC)(CCC=C1Sc1ccccc1)[H])(Sc1ccccc1)[H]
SPLASH splash10-0a4s-1921000000-30a005f9550ca9c605bd
Source of Spectrum QA-42-813-10
Synonyms Methyl (1S,2S)-2,3-bis(phenylsulfanyl)-3-cyclohexene-1-carboxylate
Wiley ID 862081