| SpectraBase Spectrum ID |
JIAQ7JCU1S4 |
| Name |
4-Chlordiazepam |
| Classification |
Designer benzodiazepine |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.032668413 u |
| Formula |
C16H12Cl2N2O |
| InChI |
InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 |
| InChIKey |
PUMYFTJOWAJIKF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.191 g/mol |
| Nominal Mass |
318 u |
| Quality |
878 |
| Retention Index |
2576 |
| SMILES |
C1=2C(C3=CC=C(C=C3)Cl)=NCC(N(C1=CC=C(C2)Cl)C)=O |
| SPLASH |
splash10-00kf-2693000000-4afceb724300a59080b1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
RO5-4864
7-Chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024243 |
