| SpectraBase Spectrum ID |
JJ8dJA2NcjQ |
| Name |
2-[(Chloromethyl)thio)-1,3-benzothiazole |
| CAS Registry Number |
28908-00-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
214.963019245 u |
| Formula |
C8H6ClNS2 |
| InChI |
InChI=1S/C8H6ClNS2/c9-5-11-8-10-6-3-1-2-4-7(6)12-8/h1-4H,5H2 |
| InChIKey |
HBFOPLIDEZBACO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
215.716 g/mol |
| Nominal Mass |
215 u |
| Quality |
935 |
| Retention Index |
1516 |
| SMILES |
C=12C(N=C(S2)SCCl)=CC=CC1 |
| SPLASH |
splash10-001i-3910000000-d1535acd9dfc732e418e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((chloromethyl)sulfanyl)-1,3-benzothiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032662 |
