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7-Bromo-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID Hm3qQtApQu4
InChI InChI=1S/C11H8BrF3N2O2/c12-6-1-2-7-8(5-6)17(4-3-9(18)16-7)10(19)11(13,14)15/h1-2,5H,3-4H2,(H,16,18)
InChIKey JCSNTGCDSBBXQT-UHFFFAOYSA-N
Mol Weight 337.1 g/mol
Molecular Formula C11H8BrF3N2O2
Exact Mass 335.972125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77GdfhO0cF4
Name 7-Bromo-5-(trifluoroacetyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CAS Registry Number 219686-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8BrF3N2O2
InChI InChI=1S/C11H8BrF3N2O2/c12-6-1-2-7-8(5-6)17(4-3-9(18)16-7)10(19)11(13,14)15/h1-2,5H,3-4H2,(H,16,18)
InChIKey JCSNTGCDSBBXQT-UHFFFAOYSA-N
Molecular Weight 337.096 g/mol
SMILES N1C(CCN(c2c1ccc(c2)Br)C(C(F)(F)F)=O)=O
SPLASH splash10-066r-7491000000-17626c27ff9417cd1b02
Synonyms 2H-1,5-Benzodiazepin-2-one, 7-bromo-1,3,4,5-tetrahydro-5-(trifluoroacetyl)- 7-Bromanyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one 7-Bromo-5-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one 7-Bromo-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Wiley ID 1455844