| SpectraBase Spectrum ID |
6Mz5AjMXP2D |
| Name |
Acetate |
| Source of Sample |
SAFC Cat.no. W400300 |
| CAS Registry Number |
16630-66-3 |
| 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 |
120.024500670 u |
| Formula |
C4H8O2S |
| InChI |
InChI=1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3 |
| InChIKey |
HZYCAKGEXXKCDM-UHFFFAOYSA-N |
| Molecular Weight |
120.166 g/mol |
| Number of Peaks |
43 |
| RI1 |
846 |
| RI2 |
506 |
| RI3 |
800 |
| RI4 |
752 |
| SMILES |
COC(CSC)=O |
| SPLASH |
splash10-0229-9100000000-b90d6205fa6cd8aab86f |
| 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 |
Acetic acid, (methylthio)-, methyl ester |
| Wiley ID |
LM_FFNSC3_516 |
