| SpectraBase Spectrum ID |
FgSptAbHS4B |
| Name |
Propanoic acid <2-mercapto-> |
| Source of Sample |
SAFC Cat.no. W318000 |
| CAS Registry Number |
79-42-5 |
| 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 |
106.008850605 u |
| Formula |
C3H6O2S |
| InChI |
InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) |
| InChIKey |
PMNLUUOXGOOLSP-UHFFFAOYSA-N |
| Molecular Weight |
106.139 g/mol |
| Number of Peaks |
29 |
| RI1 |
995 |
| RI2 |
666 |
| RI3 |
1558 |
| RI4 |
1520 |
| SMILES |
SC(C(=O)O)C |
| SPLASH |
splash10-08fr-9200000000-20c19cf80a3b19063754 |
| 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 |
Propanoic acid, 2-mercapto- |
| Wiley ID |
LM_FFNSC3_665 |
