| SpectraBase Spectrum ID |
JrSoG6vlI8r |
| Name |
S-Methyl propanethioate |
| CAS Registry Number |
5925-75-7 |
| 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 |
104.029586051 u |
| Formula |
C4H8OS |
| InChI |
InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3 |
| InChIKey |
AIILTVHCLAEMDA-UHFFFAOYSA-N |
| Molecular Weight |
104.167 g/mol |
| Number of Peaks |
49 |
| RI1 |
804 |
| RI2 |
459 |
| RI3 |
498 |
| RI4 |
453 |
| RI5 |
776 |
| SMILES |
C(CC)(SC)=O |
| SPLASH |
splash10-0a4i-9200000000-ee65fea5e50516261fd4 |
| 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 |
Propanethioic acid, S-methyl ester |
| Wiley ID |
LM_FFNSC3_3130 |
