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1H-1,2,4-Triazole-1-ethanol, beta-[3-(4-chlorophenyl)-2-propenyl]-alpha-(5-methyl-1,3-dioxan-5 -yl)-, (R*,R*)- (Dia B)
SpectraBase Compound ID 2naTPa94U9Y
InChI InChI=1S/C18H22ClN3O3/c1-18(9-24-13-25-10-18)17(23)16(22-12-20-11-21-22)4-2-3-14-5-7-15(19)8-6-14/h2-3,5-8,11-12,16-17,23H,4,9-10,13H2,1H3/b3-2+
InChIKey LMOZPIISJQALGQ-NSCUHMNNSA-N
Mol Weight 363.85 g/mol
Molecular Formula C18H22ClN3O3
Exact Mass 363.134969 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 98bD4NHPtre
Name 1H-1,2,4-Triazole-1-ethanol, beta-[3-(4-chlorophenyl)-2-propenyl]-alpha-(5-methyl-1,3-dioxan-5 -yl)-, (R*,R*)- (Dia B)
CAS Registry Number 105708-27-8
Comments Diastereomeres of 33854
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22ClN3O3
InChI InChI=1S/C18H22ClN3O3/c1-18(9-24-13-25-10-18)17(23)16(22-12-20-11-21-22)4-2-3-14-5-7-15(19)8-6-14/h2-3,5-8,11-12,16-17,23H,4,9-10,13H2,1H3/b3-2+
InChIKey LMOZPIISJQALGQ-NSCUHMNNSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film