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cyclohexanecarbothioic acid, S-ester with (3S)-3-mercaptocyclohexanone
SpectraBase Compound ID PV6CLcVxxB
InChI InChI=1S/C13H20O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKey RNQXJIPJRFABRE-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C13H20O2S
Exact Mass 240.118401 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Gyry1cbP5OQ
Name CYCLOHEXANECARBOTHIOIC ACID, S-ESTER WITH (3S)-3-MERCAPTOCYCLOHEXANONE
Source of Sample J. K. Gawronski, Adam Mickiewicz University, Poznan, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKey RNQXJIPJRFABRE-UHFFFAOYSA-N
Literature Reference MONATSH. CHEM. 115, 1373(1984) Abstract-Chemical Abstracts= 103, 5918K(1985)
Melting Point 58-59.5C
Molecular Weight 240.360992
Optical Properties Optical Rotation= (20C) -72.8 DEG (CCl4)
Synonyms CYCLOHEXANECARBOTHIOIC ACID, S-ESTER WITH /3S/-3-MERCAPTOCYCLOHEXAN- ONE
Technique KBr WAFER