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3-ACETYL-1-(4-METHYLPHENYL)-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-METHYLPHENYL)-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
SpectraBase Compound ID 7sIGU4FoUw0
InChI InChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)16-12(18)7-8-14-13(15-16)10(2)17/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKey CRTGHCBVUOUKBS-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBhnRgzAyOv
Name 3-Acetyl-1-(4-methylphenyl)-5,6-dihydro-2H-1,2,4-triazepin-7-one
Alternate Name(s) 3-Acetyl-1-(p-tolyl)-5,6-dihydro-2H-1,2,4-triazepin-7-one 3-Ethanoyl-1-(4-methylphenyl)-5,6-dihydro-2H-1,2,4-triazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c1-9-3-5-11(6-4-9)16-12(18)7-8-14-13(15-16)10(2)17/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKey CRTGHCBVUOUKBS-UHFFFAOYSA-N
Molecular Weight 245.282 g/mol
SMILES N1CCC(N(N=C1C(=O)C)c1ccc(cc1)C)=O
SPLASH splash10-0udj-0980000000-4f3355695b28a554b6c6
Source of Spectrum SB-135-438-4
Wiley ID 1576471