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3-ACETYL-1-PHENYL-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-ACETYL-1-PHENYL-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
SpectraBase Compound ID 1BPMdJrY8HV
InChI InChI=1S/C12H13N3O2/c1-9(16)12-13-8-7-11(17)15(14-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey XKKFHFJXPHOFAU-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Bgu3UJEEAa
Name 3-Acetyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-9(16)12-13-8-7-11(17)15(14-12)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey XKKFHFJXPHOFAU-UHFFFAOYSA-N
Molecular Weight 231.255 g/mol
SMILES N1CCC(N(N=C1C(=O)C)c1ccccc1)=O
SPLASH splash10-001a-1920000000-7d7a6286cf4ed061af27
Source of Spectrum SB-135-438-4
Synonyms 3-Ethanoyl-1-phenyl-5,6-dihydro-2H-1,2,4-triazepin-7-one
Wiley ID 1576472