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3-(cyclohexylthio)butanoic acid methyl ester
SpectraBase Compound ID 8tPI1m3LTRb
InChI InChI=1S/C11H20O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey UBQAXIJNOKNQJM-UHFFFAOYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FK6UjbWHRIK
Name 3-(cyclohexylthio)butanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey UBQAXIJNOKNQJM-UHFFFAOYSA-N
Molecular Weight 216.339 g/mol
SMILES C(CC(C)SC1CCCCC1)(=O)OC
SPLASH splash10-0cdi-6900000000-ed81810215fb7b8de93a
Source of Spectrum SK-26-2195-0
Synonyms 3-(cyclohexylthio)butyric acid methyl ester
Wiley ID 867178