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Nor-Flunitrazepam-A HFB
SpectraBase Compound ID 6qFcD0mjuz2
InChI InChI=1S/C18H8F8N2O3/c19-13-4-2-1-3-10(13)12-8-27(14-6-5-9(28(30)31)7-11(12)14)15(29)16(20,21)17(22,23)18(24,25)26/h1-8H
InChIKey IMTYXEOOGJIHIG-UHFFFAOYSA-N
Mol Weight 452.26 g/mol
Molecular Formula C18H8F8N2O3
Exact Mass 452.040717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J3o4k2MkIy
Name Nor-Flunitrazepam-A HFB
Classification Pharmaceutical drug metabolite, artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 452.040717427 u
Formula C18H8F8N2O3
InChI InChI=1S/C18H8F8N2O3/c19-13-4-2-1-3-10(13)12-8-27(14-6-5-9(28(30)31)7-11(12)14)15(29)16(20,21)17(22,23)18(24,25)26/h1-8H
InChIKey IMTYXEOOGJIHIG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.260 g/mol
Nominal Mass 452 u
Quality 972
Retention Index 3390
SMILES C(C(C(N1C=2C(C(C=3C(=CC=CC3)F)=C1)=CC(=CC2)[N+](=O)[O-])=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-053r-1490100000-2d925b65048371a6fcb3
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,4,4,4-heptafluoro-1-(3-(2-fluorophenyl)-5-nitro-1H-indol-1-yl)butan-1-one
Technique GC/MS
Wiley ID DD2024_011913