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3-Octanone, 2,2-dimethyl-8-[3-(1-methylethyl)phenoxy]-4-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID 8hEmNT4kRAO
InChI InChI=1S/C21H31N3O2/c1-16(2)17-9-8-10-18(13-17)26-12-7-6-11-19(20(25)21(3,4)5)24-15-22-14-23-24/h8-10,13-16,19H,6-7,11-12H2,1-5H3
InChIKey CWLVJJGXBXAQLM-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 HPbdytIhni5
Name 3-Octanone, 2,2-dimethyl-8-[3-(1-methylethyl)phenoxy]-4-(1H-1,2,4-triazol-1-yl)-
CAS Registry Number 95354-33-9
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H31N3O2
InChI InChI=1S/C21H31N3O2/c1-16(2)17-9-8-10-18(13-17)26-12-7-6-11-19(20(25)21(3,4)5)24-15-22-14-23-24/h8-10,13-16,19H,6-7,11-12H2,1-5H3
InChIKey CWLVJJGXBXAQLM-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film