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Flunitrazepam-M (7-Amino) AC
SpectraBase Compound ID 4Cjclxj8JvB
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
Mol Weight 325.34 g/mol
Molecular Formula C18H16FN3O2
Exact Mass 325.122655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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