2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolane-4-methanol, methanesulfonate (ester)

SpectraBase Compound ID	LPYAD3EMlUF
InChI	InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11?,14-/m1/s1
InChIKey	QIMASXGTWQEFGS-SBXXRYSUSA-N Google Search
Mol Weight	408.26 g/mol
Molecular Formula	C14H15Cl2N3O5S
Exact Mass	407.010947 g/mol

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SpectraBase Spectrum ID	DWM2XkneTQc
Name	2-(2,4-DICHLOROPHENYL)-2-[(1H-1,2,4-TRIAZOL-1-YL)METHYL]-1,3-DIOXOLANE-4-METHANOL, METHANESULFONATE (ESTER)
Source of Sample	J. Heeres, Janssen Pharmaceutica, Beerse, Belgium
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H15Cl2N3O5S
InChI	InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11?,14-/m1/s1
InChIKey	QIMASXGTWQEFGS-SBXXRYSUSA-N
Literature Reference	J. MED. CHEM. 26, 611(1983) Abstract-Chemical Abstracts= 98, 125988H(1983)
Melting Point	98.0C
Molecular Weight	408.250000
Synonyms	1,3-DIOXOLANE-4-METHANOL, 2-/2,4-DI- CHLOROPHENYL/-2-//1H-1,2,4-TRIAZOL- 1-YL/METHYL/-, METHANESULFONATE /ESTER/
Technique	KBr WAFER