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 |