| SpectraBase Spectrum ID |
5YETSmRS0B6 |
| Name |
2-Methylthiobenzothiazole |
| CAS Registry Number |
615-22-5 |
| Classification |
Food flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.001991577 u |
| Formula |
C8H7NS2 |
| InChI |
InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 |
| InChIKey |
UTBVIMLZIRIFFR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.271 g/mol |
| Nominal Mass |
181 u |
| Quality |
901 |
| Retention Index |
1333 |
| SMILES |
C=12C(SC(=N2)SC)=CC=CC1 |
| SPLASH |
splash10-001j-3900000000-4df2fe0fd5b921c62aaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylthio-1,3-benzothiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002417 |
