| SpectraBase Spectrum ID |
JsgHOBjSeJC |
| Name |
Thiopropionate |
| Source of Sample |
SAFC Cat.no. W332909 |
| CAS Registry Number |
41820-22-8 |
| 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 |
130.045236115 u |
| Formula |
C6H10OS |
| InChI |
InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
| InChIKey |
GKRISGLFPMFKSX-UHFFFAOYSA-N |
| Molecular Weight |
130.205 g/mol |
| Number of Peaks |
50 |
| RI1 |
953 |
| RI2 |
628 |
| RI3 |
695 |
| RI4 |
651 |
| RI5 |
930 |
| SMILES |
CCC(SCC=C)=O |
| SPLASH |
splash10-0a4i-9000000000-00fe7493c21258099f29 |
| 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-2-propenyl ester |
| Wiley ID |
LM_FFNSC3_115 |
