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4,4-Dimethyl-1-(4-tolyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone (A)

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4,4-Dimethyl-1-(4-tolyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone (A)
SpectraBase Compound ID KFvwqG21She
InChI InChI=1S/C18H22N6O/c1-13-5-7-14(8-6-13)15(23-11-19-9-21-23)16(17(25)18(2,3)4)24-12-20-10-22-24/h5-12,15-16H,1-4H3
InChIKey VUIUZHVEIZVCEQ-UHFFFAOYSA-N
Mol Weight 338.42 g/mol
Molecular Formula C18H22N6O
Exact Mass 338.185509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DF5YWCyJCDt
Name 4,4-Dimethyl-1-(4-tolyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone (B)
CAS Registry Number 88534-73-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22N6O
InChI InChI=1S/C18H22N6O/c1-13-5-7-14(8-6-13)15(23-11-19-9-21-23)16(17(25)18(2,3)4)24-12-20-10-22-24/h5-12,15-16H,1-4H3
InChIKey VUIUZHVEIZVCEQ-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3