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(2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propanethioic acid S-phenyl ester
SpectraBase Compound ID 6fNt4AcFc8A
InChI InChI=1S/C21H24O2S2/c1-16(20(23)24-17-10-4-2-5-11-17)19(22)21(14-8-9-15-21)25-18-12-6-3-7-13-18/h2-7,10-13,16,19,22H,8-9,14-15H2,1H3/t16-,19-/m0/s1
InChIKey QXRXOCYYWJTWTN-LPHOPBHVSA-N
Mol Weight 372.54 g/mol
Molecular Formula C21H24O2S2
Exact Mass 372.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDmhus7djs2
Name (2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclopentyl]propanethioic acid S-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O2S2
InChI InChI=1S/C21H24O2S2/c1-16(20(23)24-17-10-4-2-5-11-17)19(22)21(14-8-9-15-21)25-18-12-6-3-7-13-18/h2-7,10-13,16,19,22H,8-9,14-15H2,1H3/t16-,19-/m0/s1
InChIKey QXRXOCYYWJTWTN-LPHOPBHVSA-N
Molecular Weight 372.541 g/mol
SMILES O[C@](C1(Sc2ccccc2)CCCC1)([C@@](C(Sc1ccccc1)=O)(C)[H])[H]
SPLASH splash10-0cfr-4940000000-ba36e24e92778712bfd3
Source of Spectrum K-2001-2990-23
Synonyms S-phenyl (2S,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanethioate
Wiley ID 1580064