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(4S,5R)-1,2-Dimethylcyclohexen-5-thiol-4-carboxylic acid methyl esrter
SpectraBase Compound ID 9Nof7rwEgzl
InChI InChI=1S/C10H16O2S/c1-6-4-8(10(11)12-3)9(13)5-7(6)2/h8-9,13H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKey ABDOTBJRJGEILD-RKDXNWHRSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YSySd1U2a
Name (4S,5R)-1,2-Dimethylcyclohexen-5-thiol-4-carboxylic acid methyl esrter
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c1-6-4-8(10(11)12-3)9(13)5-7(6)2/h8-9,13H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKey ABDOTBJRJGEILD-RKDXNWHRSA-N
Molecular Weight 200.296 g/mol
SMILES S[C@]1([C@@](CC(C)=C(C1)C)(C(=O)OC)[H])[H]
SPLASH splash10-053r-9800000000-3c92f9ac702750bfb3cc
Source of Spectrum KC-61-1122-14
Synonyms Methyl (1S,6R)-3,4-dimethyl-6-sulfanyl-3-cyclohexene-1-carboxylate Methyl 1,2-Dimethylcyclohexen-5-thiol-4-carboxylate
Wiley ID 1627378