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1-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-(E)-3-(4-trifluoromethyl-phenyl)-2-propenol

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1-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-(E)-3-(4-trifluoromethyl-phenyl)-2-propenol
SpectraBase Compound ID BBhgIqmB9Sa
InChI InChI=1S/C17H18F3N3O3/c1-16(7-25-11-26-8-16)15(24)14(23-10-21-9-22-23)6-12-2-4-13(5-3-12)17(18,19)20/h2-6,9-10,15,24H,7-8,11H2,1H3/b14-6+
InChIKey SBLFAGXVSMRMRX-MKMNVTDBSA-N
Mol Weight 369.34 g/mol
Molecular Formula C17H18F3N3O3
Exact Mass 369.130026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7V4kxRMm6pZ
Name 1-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-(E)-3-(4-trifluoromethyl-phenyl)-2-propenol
CAS Registry Number 81304-51-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18F3N3O3
InChI InChI=1S/C17H18F3N3O3/c1-16(7-25-11-26-8-16)15(24)14(23-10-21-9-22-23)6-12-2-4-13(5-3-12)17(18,19)20/h2-6,9-10,15,24H,7-8,11H2,1H3/b14-6+
InChIKey SBLFAGXVSMRMRX-MKMNVTDBSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6