| SpectraBase Spectrum ID |
e8gmVA9a4 |
| Name |
Flunitrazepam |
| CAS Registry Number |
1622-62-4 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.086269418 u |
| Formula |
C16H12FN3O3 |
| InChI |
InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3 |
| InChIKey |
PPTYJKAXVCCBDU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.288 g/mol |
| Nominal Mass |
313 u |
| Quality |
991 |
| Retention Index |
2645 |
| SMILES |
C1=2C(C3=C(C=CC=C3)F)=NCC(N(C1=CC=C(C2)[N+](=O)[O-])C)=O |
| SPLASH |
splash10-01p9-3592000000-a50b4e21ae20128f2ac1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
6-(2-Fluorophenyl)-2-methyl-9-nitro-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001440 |
