| SpectraBase Spectrum ID |
DlxjckkcdpQ |
| Name |
Chlorzoxazone |
| CAS Registry Number |
95-25-0 |
| Classification |
Pharmaceutical drug, central muscle relaxant, RI 1750 (TG-5HT) |
| 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 |
168.993056071 u |
| Formula |
C7H4ClNO2 |
| InChI |
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
| InChIKey |
TZFWDZFKRBELIQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
169.567 g/mol |
| Nominal Mass |
169 u |
| Quality |
1000 |
| SMILES |
C=12C(OC(N2)=O)=CC=C(C1)Cl |
| SPLASH |
splash10-014i-3900000000-887fc6fa9ec704b03924 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-Chlorbenzoxazolin-2-one
5-Chloro-1,3-benzoxazol-2(3H)-one
RI 1750 (TG-5HT) |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016294 |
