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2-ACETYL-4-(4-CHLOROPHENYL)-1,4-DIHYDRO-1H-1,3,4-BENZOTRIAZEPIN-5-ONE
SpectraBase Compound ID 5gvbJ4BzuFm
InChI InChI=1S/C16H12ClN3O2/c1-10(21)15-18-14-5-3-2-4-13(14)16(22)20(19-15)12-8-6-11(17)7-9-12/h2-9H,1H3,(H,18,19)
InChIKey IGAMJLVIZMSSKK-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C16H12ClN3O2
Exact Mass 313.061804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRrb4qclG0e
Name 2-Acetyl-4-(p-chlorophenyl)-1,4-dihydro-1H-1,3,4-benzotriazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN3O2
InChI InChI=1S/C16H12ClN3O2/c1-10(21)15-18-14-5-3-2-4-13(14)16(22)20(19-15)12-8-6-11(17)7-9-12/h2-9H,1H3,(H,18,19)
InChIKey IGAMJLVIZMSSKK-UHFFFAOYSA-N
Molecular Weight 313.744 g/mol
SMILES N1c2c(C(N(N=C1C(=O)C)c1ccc(cc1)Cl)=O)cccc2
SPLASH splash10-01t9-0913000000-d2a19fe36347087fe0c8
Source of Spectrum Y-39-903-7
Synonyms 2-Acetyl-4-(4-chlorophenyl)-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one 4-(4-Chlorophenyl)-2-ethanoyl-3H-1,3,4-benzotriazepin-5-one
Wiley ID 1528566