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4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxy-phenyl)-3-heptanol diast.B1

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxy-phenyl)-3-heptanol diast.B1
SpectraBase Compound ID 6L7baxsNKBF
InChI InChI=1S/C22H33N3O2/c1-7-12-22(20(26)21(3,4)5,25-16-23-15-24-25)14-17(2)13-18-8-10-19(27-6)11-9-18/h7-11,15-17,20,26H,1,12-14H2,2-6H3
InChIKey LSJFMAQEDYHUSX-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C22H33N3O2
Exact Mass 371.257277 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GabAmCVPB2U
Name 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-[3-(4-methoxyphenyl)-2-methylpropyl]-beta-2-propenyl-
CAS Registry Number 110281-07-7
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H33N3O2
InChI InChI=1S/C22H33N3O2/c1-7-12-22(20(26)21(3,4)5,25-16-23-15-24-25)14-17(2)13-18-8-10-19(27-6)11-9-18/h7-11,15-17,20,26H,1,12-14H2,2-6H3
InChIKey LSJFMAQEDYHUSX-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Synonyms 4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxyphenyl)-3-heptanol (diast. B1)
Technique Film