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

View entire compound with spectra: 1 MS (GC)

5-(4-Methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SpectraBase Compound ID CftzT1ToByd
InChI InChI=1S/C13H13F3N2/c1-9-2-4-10(5-3-9)11-8-12(13(14,15)16)18-7-6-17-11/h2-5,8,18H,6-7H2,1H3
InChIKey RFADHNFIEZNHCV-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C13H13F3N2
Exact Mass 254.103083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LzTf1ntFp7
Name 5-(4-Methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Alternate Name(s) 5-(p-tolyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N2
InChI InChI=1S/C13H13F3N2/c1-9-2-4-10(5-3-9)11-8-12(13(14,15)16)18-7-6-17-11/h2-5,8,18H,6-7H2,1H3
InChIKey RFADHNFIEZNHCV-UHFFFAOYSA-N
Molecular Weight 254.256 g/mol
SMILES N1CCN=C(C=C1C(F)(F)F)c1ccc(cc1)C
SPLASH splash10-0udi-0290000000-cef06b8d9dccda943ef2
Source of Spectrum AH-127-1015-2
Wiley ID 1257462