| SpectraBase Spectrum ID |
8JUKq9OZWXw |
| Name |
1-Dodecanthiol |
| CAS Registry Number |
112-55-0 |
| Classification |
Chemical warfare agent reference standard |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
202.175522011 u |
| Formula |
C12H26S |
| InChI |
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3 |
| InChIKey |
WNAHIZMDSQCWRP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
202.400 g/mol |
| Nominal Mass |
202 u |
| Quality |
940 |
| Retention Index |
1403 |
| SMILES |
C(CCCCCCC)CCCCS |
| SPLASH |
splash10-0a5c-9000000000-8c5fba7a9a9217049a18 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
dodecane-1-thiol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001236 |
