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(1R,2R)-2-((E)-3-(phenylthio)allyl)-1-((phenylthio)methyl)cyclopentanol
SpectraBase Compound ID L7TL4f2vGbD
InChI InChI=1S/C21H24OS2/c22-21(17-24-20-13-5-2-6-14-20)15-7-9-18(21)10-8-16-23-19-11-3-1-4-12-19/h1-6,8,11-14,16,18,22H,7,9-10,15,17H2/b16-8+/t18-,21+/m1/s1
InChIKey ONTKDWHQZYLYGS-SOHCNCHLSA-N
Mol Weight 356.54 g/mol
Molecular Formula C21H24OS2
Exact Mass 356.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BHuSRH0Xap
Name (1R,2R)-2-((E)-3-(phenylthio)allyl)-1-((phenylthio)methyl)cyclopentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24OS2
InChI InChI=1S/C21H24OS2/c22-21(17-24-20-13-5-2-6-14-20)15-7-9-18(21)10-8-16-23-19-11-3-1-4-12-19/h1-6,8,11-14,16,18,22H,7,9-10,15,17H2/b16-8+/t18-,21+/m1/s1
InChIKey ONTKDWHQZYLYGS-SOHCNCHLSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 356.542 g/mol
SMILES O[C@@]1(CSc2ccccc2)[C@@](C\C=C\Sc2ccccc2)(CCC1)[H]
SPLASH splash10-006t-0930000000-fda1f2bceb5168856184
Source of Spectrum A1-11-4576/SMS6-13
Wiley ID 1757479