| SpectraBase Spectrum ID |
6NJa1kzw2R5 |
| Name |
Propanoic acid,3-mercapto-,dodecyl ester |
| CAS Registry Number |
6380-71-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
274.196651378 u |
| Formula |
C15H30O2S |
| InChI |
InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18/h18H,2-14H2,1H3 |
| InChIKey |
ARNIBHATWCFIIK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
274.463 g/mol |
| Nominal Mass |
274 u |
| Quality |
903 |
| Retention Index |
1870 |
| SMILES |
C(OCCCCCCCCCCCC)(CCS)=O |
| SPLASH |
splash10-0a4l-9000000000-f312d5147ba3d8a7bcaf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dodecyl-3-sulfanyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030567 |
