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2-Phenyl-3-(2-aminobenzoyl)-1,3,4-benzotriazepin-5-one
SpectraBase Compound ID 3ZHSPtXM917
InChI InChI=1S/C21H16N4O2/c22-17-12-6-4-10-15(17)21(27)25-19(14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20(26)24-25/h1-13H,22H2,(H,24,26)
InChIKey NPBLRMTTYRNPDB-UHFFFAOYSA-N
Mol Weight 356.39 g/mol
Molecular Formula C21H16N4O2
Exact Mass 356.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8keNRykPDlM
Name 2-Phenyl-3-(2-aminobenzoyl)-1,3,4-benzotriazepin-5-one
Alternate Name(s) 2-Phenyl-3-(2-aminobenzamido)-1,3,4-benzotriazepin-5-one 3-(2-aminobenzoyl)-2-phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4O2
InChI InChI=1S/C21H16N4O2/c22-17-12-6-4-10-15(17)21(27)25-19(14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20(26)24-25/h1-13H,22H2,(H,24,26)
InChIKey NPBLRMTTYRNPDB-UHFFFAOYSA-N
Molecular Weight 356.385 g/mol
SMILES N1C(c2ccccc2N=C(N1C(c1c(cccc1)N)=O)c1ccccc1)=O
SPLASH splash10-0079-5890000000-58d4d121d33a373fe307
Source of Spectrum Y1-36-167-6
Wiley ID 1526879