John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7sIGU4FoUw0 SpectraBase Spectrum ID=1KWigs7baL4

(accessed ).
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KWigs7baL4
Name 3-ACETYL-1-(4-METHYLPHENYL)-1,4,5,6-TETRAHYDRO-1-H-1,2,4-TRIAZEPIN-7-ONE
Compound Number 4B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author B.A.THAHER,J.A.ZAHRA,M.M.EL-ABADELAH,H.H.OTTO
Literature Reference Citation MH.CHEM.,135,435(2004)
Literature Reference DOI 10.1007/s00706-003-0092-3
Molecular Weight 245.281 g/mol
Solvent CDCl3
Source File Reference UWMZ11437
SpectraBase Batch ID Co7uQd53Fta