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1-(4-Methoxy-phenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazolyl-1)-3-pentanone

View entire compound with spectra: 4 NMR, and 1 FTIR

1-(4-Methoxy-phenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazolyl-1)-3-pentanone
SpectraBase Compound ID 6NXYTBSoIXR
InChI InChI=1S/C18H22N6O2/c1-18(2,3)17(25)16(24-12-20-10-22-24)15(23-11-19-9-21-23)13-5-7-14(26-4)8-6-13/h5-12,15-16H,1-4H3
InChIKey UEDVWEMALDQJMM-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C18H22N6O2
Exact Mass 354.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TDFlRhrtOQ
Name 1-(4-Methoxy-phenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazolyl-1)-3-pentanone
CAS Registry Number 88534-77-4
Comments WHE-8248-98, DIAST.A (75 %)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22N6O2
InChI InChI=1S/C18H22N6O2/c1-18(2,3)17(25)16(24-12-20-10-22-24)15(23-11-19-9-21-23)13-5-7-14(26-4)8-6-13/h5-12,15-16H,1-4H3
InChIKey UEDVWEMALDQJMM-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3