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3-Methyl-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-2-one
SpectraBase Compound ID 2ds6ZIps9cV
InChI InChI=1S/C15H13N3O/c1-18-15(19)16-13-10-6-5-9-12(13)14(17-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19)
InChIKey HKQLHZWEILNYDP-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDJ0cedztLG
Name 3-Methyl-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-2-one
Alternate Name(s) 3H-1,3,4-Benzotriazepin-2-one, 1,2-dihydro-3-methyl-5-phenyl-
CAS Registry Number 116089-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c1-18-15(19)16-13-10-6-5-9-12(13)14(17-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19)
InChIKey HKQLHZWEILNYDP-UHFFFAOYSA-N
Molecular Weight 251.289 g/mol
SMILES N1c2c(C(=NN(C1=O)C)c1ccccc1)cccc2
SPLASH splash10-0zfr-1090000000-51f279034599efa83875
Source of Spectrum Y-27-260-11
Wiley ID 1254638