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5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SpectraBase Compound ID 15rdVt9Nd1f
InChI InChI=1S/C12H10BrF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2
InChIKey VHYCMJJCSBOKKQ-UHFFFAOYSA-N
Mol Weight 319.13 g/mol
Molecular Formula C12H10BrF3N2
Exact Mass 317.997946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MdfUMwv1xM
Name 5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10BrF3N2
InChI InChI=1S/C12H10BrF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2
InChIKey VHYCMJJCSBOKKQ-UHFFFAOYSA-N
Molecular Weight 319.125 g/mol
SMILES N1CCN=C(C=C1C(F)(F)F)c1ccc(cc1)Br
SPLASH splash10-014i-0139000000-5a49c30e5e8a462f032c
Source of Spectrum AH-127-1015-6
Wiley ID 1317978