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4,4-Dimethyl-1-(4-tert-butyl-phenyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone, diast. A

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4,4-Dimethyl-1-(4-tert-butyl-phenyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone, diast. A
SpectraBase Compound ID HAL90r3I60C
InChI InChI=1S/C21H28N6O/c1-20(2,3)16-9-7-15(8-10-16)17(26-13-22-11-24-26)18(19(28)21(4,5)6)27-14-23-12-25-27/h7-14,17-18H,1-6H3
InChIKey AGEJFSWAORWHQC-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H28N6O
Exact Mass 380.23246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUNB8brBTUN
Name 4,4-Dimethyl-1-(4-tert-butyl-phenyl)-1,2-bis(1,2,4-triazolyl)-3-pentanone, diast. A
CAS Registry Number 88534-75-2
Comments WHE-8375-47
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28N6O
InChI InChI=1S/C21H28N6O/c1-20(2,3)16-9-7-15(8-10-16)17(26-13-22-11-24-26)18(19(28)21(4,5)6)27-14-23-12-25-27/h7-14,17-18H,1-6H3
InChIKey AGEJFSWAORWHQC-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3