| SpectraBase Spectrum ID |
2nKLcSenmNs |
| Name |
Saccharin |
| CAS Registry Number |
81-07-2 |
| Classification |
Sweetener |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
182.999014196 u |
| Formula |
C7H5NO3S |
| InChI |
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) |
| InChIKey |
CVHZOJJKTDOEJC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
183.181 g/mol |
| Nominal Mass |
183 u |
| Quality |
980 |
| Retention Index |
1819 |
| SMILES |
C=12S(NC(C2=CC=CC1)=O)(=O)=O |
| SPLASH |
splash10-0fir-9400000000-45391f36d904fc3da2f0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
o-Benzoic acid sulfimide
1,2-Benzothiazol-3(2H)one 1,1-dioxide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007397 |
