| SpectraBase Spectrum ID |
2OQU8Ns4vDG |
| Name |
Ethanethioic acid ester |
| CAS Registry Number |
166022-16-8 |
| 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 |
228.118401056 u |
| Formula |
C12H20O2S |
| InChI |
InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1 |
| InChIKey |
AMXPURQVAMENCC-WCBMZHEXSA-N |
| Molecular Weight |
228.350 g/mol |
| Number of Peaks |
50 |
| RI1 |
1597 |
| RI2 |
1275 |
| SMILES |
C1[C@](CC[C@](C1=O)(C(C)(C)SC(C)=O)[H])(C)[H] |
| SPLASH |
splash10-1003-9500000000-74b2d0692fc411bf2e7e |
| 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 |
Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ester, cis- |
| Wiley ID |
LM_FFNSC3_1737 |
![Ethanethioic acid <S-, [1-methyl-, 1-(4-methyl-, 2-oxocyclohexyl)ethyl]-, cis-> ester](/api/spectrum/2OQU8Ns4vDG/structure.png?h=300&w=458 "Ethanethioic acid <S-, [1-methyl-, 1-(4-methyl-, 2-oxocyclohexyl)ethyl]-, cis-> ester")
