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3-Hexanone, 6-[[4-(1,1-dimethylethyl)phenyl]methoxy]-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-

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3-Hexanone, 6-[[4-(1,1-dimethylethyl)phenyl]methoxy]-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID FkJl7AMmHnE
InChI InChI=1S/C21H31N3O2/c1-20(2,3)17-9-7-16(8-10-17)13-26-12-11-18(19(25)21(4,5)6)24-15-22-14-23-24/h7-10,14-15,18H,11-13H2,1-6H3
InChIKey JTCTUVOCMDZZCA-UHFFFAOYSA-N
Mol Weight 357.5 g/mol
Molecular Formula C21H31N3O2
Exact Mass 357.241627 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JtAlKtsPIjW
Name 3-Hexanone, 6-[[4-(1,1-dimethylethyl)phenyl]methoxy]-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-
CAS Registry Number 103061-26-3
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H31N3O2
InChI InChI=1S/C21H31N3O2/c1-20(2,3)17-9-7-16(8-10-17)13-26-12-11-18(19(25)21(4,5)6)24-15-22-14-23-24/h7-10,14-15,18H,11-13H2,1-6H3
InChIKey JTCTUVOCMDZZCA-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film