| SpectraBase Spectrum ID |
8K0VkwQ4mrg |
| Name |
Chlordiazepoxide |
| CAS Registry Number |
58-25-3 |
| Classification |
Pharmaceutical drug, tranquiliser |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
299.082539782 u |
| Formula |
C16H14ClN3O |
| InChI |
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19) |
| InChIKey |
ANTSCNMPPGJYLG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
299.761 g/mol |
| Nominal Mass |
299 u |
| Quality |
980 |
| Retention Index |
2876 |
| SMILES |
C1=2C(C=3C=CC=CC3)=[N+](CC(=NC1=CC=C(C2)Cl)NC)[O-] |
| SPLASH |
splash10-001i-4890000000-32416ee84dcb74c08c9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Metamino-diazepoxid
Methamin-diazepoxid
Methaminodiazepoxid
9-Chloro-5-hydroxy-N-methyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-1,6,8,10-tetraen-3-imine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019302 |
