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Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, (2R-cis)-
SpectraBase Compound ID 6ih13MPkym1
InChI InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
InChIKey RVOKNSFEAOYULQ-UHFFFAOYSA-N
Mol Weight 186.31 g/mol
Molecular Formula C10H18OS
Exact Mass 186.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsIoX7a049N
Name Mangone
Source of Sample SAFC Cat.no. W317713
CAS Registry Number 38462-22-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 186.107836373 u
Formula C10H18OS
InChI InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
InChIKey RVOKNSFEAOYULQ-UHFFFAOYSA-N
Molecular Weight 186.313 g/mol
Number of Peaks 50
RI1 1368
RI2 1046
RI3 1245
RI4 1204
SMILES SC(C1C(CC(CC1)C)=O)(C)C
SPLASH splash10-066u-9200000000-043e53a3239ae39f0557
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
Wiley ID LM_FFNSC3_682