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S-METHYL-1-HYDROXY-CYCLOHEXANE-CARBOTHIOATE
SpectraBase Compound ID 9mvLSENrKir
InChI InChI=1S/C8H14O2S/c1-11-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKey ATPDALFLIIFKCK-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhJk1ctQsrd
Name 1-Hydroxy-1-cyclohexanecarbothioic acid S-methyl ester
Alternate Name(s) 1-Hydroxycyclohexanecarbothioic acid S-methyl ester S-methyl 1-hydroxycyclohexane-1-carbothioate S-methyl 1-hydroxycyclohexanecarbothioate S-methyl 1-oxidanylcyclohexane-1-carbothioate
CAS Registry Number 88525-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-11-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKey ATPDALFLIIFKCK-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES OC1(C(=O)SC)CCCCC1
SPLASH splash10-000t-9000000000-d9aa4a087eff633b13f9
Source of Spectrum J-49-613-0
Wiley ID 1170228