| SpectraBase Spectrum ID |
JGk6pLCemAq |
| Name |
1,3-Benzothiazole |
| CAS Registry Number |
95-16-9 |
| Classification |
Chemical |
| 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 |
135.014270339 u |
| Formula |
C7H5NS |
| InChI |
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| InChIKey |
IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
135.184 g/mol |
| Nominal Mass |
135 u |
| Quality |
977 |
| Retention Index |
1196 |
| SMILES |
C=12C(SC=N2)=CC=CC1 |
| SPLASH |
splash10-000i-9800000000-01fed86947cb1dababaf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-benzothiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004951 |
