| SpectraBase Spectrum ID |
2R3I8I1U1o |
| Name |
Flunitrazepam-M (7-Amino) AC |
| CAS Registry Number |
67739-72-4 |
| Classification |
Pharmaceutical drug metabolite |
| 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 |
325.122654928 u |
| Formula |
C18H16FN3O2 |
| InChI |
InChI=1S/C18H16FN3O2/c1-11(23)21-12-7-8-16-14(9-12)18(20-10-17(24)22(16)2)13-5-3-4-6-15(13)19/h3-9H,10H2,1-2H3,(H,21,23) |
| InChIKey |
MMTDAQLJAWIUTN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
325.343 g/mol |
| Nominal Mass |
325 u |
| Quality |
927 |
| Retention Index |
2668 |
| SMILES |
C1=2C(C=3C(=CC=CC3)F)=NCC(N(C1=CC=C(C2)NC(=O)C)C)=O |
| SPLASH |
splash10-004j-2597000000-0f2206afaea33a567a7d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-7-acetamido-1H-1,4-benzodiazepine-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001442 |
