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 Google Search
Mol Weight	363.85 g/mol
Molecular Formula	C18H22ClN3O3
Exact Mass	363.134969 g/mol

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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