| SpectraBase Spectrum ID |
3urNheLVeI3 |
| Name |
Mercaptopropanoic acid<2-> |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
106 u |
| Number of Peaks |
29 |
| SMILES |
SC(C(O)=O)C |
| SPLASH |
splash10-08fs-9000000000-dbde68076f0f03adf254 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001854 |
