| SpectraBase Spectrum ID |
9ZRYk3YjV82 |
| Name |
3-acetylmercaptohexylacetate |
| CAS Registry Number |
136954-25-1 |
| 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 |
218.097665611 u |
| Formula |
C10H18O3S |
| InChI |
InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3 |
| InChIKey |
GSJSVAFGVJLTNQ-UHFFFAOYSA-N |
| Molecular Weight |
218.311 g/mol |
| Number of Peaks |
50 |
| RI1 |
1451 |
| RI2 |
1129 |
| RI3 |
1380 |
| RI4 |
1341 |
| RI5 |
1423 |
| SMILES |
C(C)(=O)OCCC(CCC)SC(C)=O |
| SPLASH |
splash10-00kf-9400000000-2e70fb30a8038b8edad4 |
| 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-[2-(acetyloxy)ethyl]butyl] ester |
| Wiley ID |
LM_FFNSC3_3106 |
