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3-ACETYL-1-(4-CHLOROPHENYL)-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-(4-CHLOROPHENYL)-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
SpectraBase Compound ID 6c4efg5q8zA
InChI InChI=1S/C12H12ClN3O2/c1-8(17)12-14-7-6-11(18)16(15-12)10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey OOOIXQVZDCSYMR-UHFFFAOYSA-N
Mol Weight 265.7 g/mol
Molecular Formula C12H12ClN3O2
Exact Mass 265.061804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZZivcr1GnU
Name 1-(4-Chlorophenyl)-3-ethanoyl-5,6-dihydro-2H-1,2,4-triazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O2
InChI InChI=1S/C12H12ClN3O2/c1-8(17)12-14-7-6-11(18)16(15-12)10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey OOOIXQVZDCSYMR-UHFFFAOYSA-N
Molecular Weight 265.700 g/mol
SMILES N1CCC(N(N=C1C(=O)C)c1ccc(cc1)Cl)=O
SPLASH splash10-0002-0920000000-c018af2483a968fac1ad
Source of Spectrum SB-135-438-4
Synonyms 3-Acetyl-1-(4-chlorophenyl)-5,6-dihydro-2H-1,2,4-triazepin-7-one
Wiley ID 1576470