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Ethanethioic acid, S,S'-1,3-cyclopentanediyl ester, cis-
SpectraBase Compound ID B1bChxc7uQM
InChI InChI=1S/C9H14O2S2/c1-6(10)12-8-3-4-9(5-8)13-7(2)11/h8-9H,3-5H2,1-2H3/t8-,9+
InChIKey XJBIIHLYMYORJE-DTORHVGOSA-N
Mol Weight 218.33 g/mol
Molecular Formula C9H14O2S2
Exact Mass 218.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 642VozTbZ6g
Name Ethanethioic acid, S,S'-1,3-cyclopentanediyl ester, cis-
Alternate Name(s) cis-1,3-Cyclopentanediyldithioacetate S-[(1R,3S)-3-(acetylsulfanyl)cyclopentyl]ethanethioate
CAS Registry Number 96556-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S2
InChI InChI=1S/C9H14O2S2/c1-6(10)12-8-3-4-9(5-8)13-7(2)11/h8-9H,3-5H2,1-2H3/t8-,9+
InChIKey XJBIIHLYMYORJE-DTORHVGOSA-N
Molecular Weight 218.329 g/mol
SMILES C(S[C@]1(C[C@@](SC(=O)C)(CC1)[H])[H])(=O)C
SPLASH splash10-00o1-8900000000-d5bd6fe5b50bd460ddc5
Source of Spectrum C-107-4182-0
Wiley ID 1217059