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3-Trifluoroacetyl-4-trifluoromethyl-(1H,5)benzodiazepine

View entire compound with spectra: 1 MS (GC)

3-Trifluoroacetyl-4-trifluoromethyl-(1H,5)benzodiazepine
SpectraBase Compound ID FMJCAMqufqX
InChI InChI=1S/C12H6F6N2O/c13-11(14,15)9-6(10(21)12(16,17)18)5-19-7-3-1-2-4-8(7)20-9/h1-5,19H
InChIKey SIMIMYJPBLHYFA-UHFFFAOYSA-N
Mol Weight 308.18 g/mol
Molecular Formula C12H6F6N2O
Exact Mass 308.038432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpmcXG3LIfx
Name 3-Trifluoroacetyl-4-trifluoromethyl-(1H,5)benzodiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F6N2O
InChI InChI=1S/C12H6F6N2O/c13-11(14,15)9-6(10(21)12(16,17)18)5-19-7-3-1-2-4-8(7)20-9/h1-5,19H
InChIKey SIMIMYJPBLHYFA-UHFFFAOYSA-N
Molecular Weight 308.183 g/mol
SMILES N1c2ccccc2N=C(C(=C1)C(C(F)(F)F)=O)C(F)(F)F
SPLASH splash10-014i-0901000000-efb298aa82b81664231f
Source of Spectrum F-53-5852-8a
Wiley ID 801779