SpectraBase Spectrum ID |
GYh6rY4Scro |
Name |
Temazepam-A |
Classification |
Pharmaceutical drug artifact |
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 |
300.066555365 u |
Formula |
C16H13ClN2O2 |
InChI |
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,18,20) |
InChIKey |
DWYGNQZEEWSLJG-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
300.745 g/mol |
Nominal Mass |
300 u |
Quality |
906 |
Retention Index |
2381 |
SMILES |
C=12C(NC(C(N(C2=CC=C(C1)Cl)C)=O)=O)C1=CC=CC=C1 |
SPLASH |
splash10-0fi1-5971000000-3d09bf173097f7e2b9df |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
7-chloro-1-methyl-5-phenyl-4,5-dihydro-1H-1,4-benzodiazepine-2,3-dione |
Technique |
GC/MS |
Wiley ID |
DD2024_009330 |