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cis-3-(4-Trifluoromethyl-phenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazolyl)-2-propen-1-one

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cis-3-(4-Trifluoromethyl-phenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazolyl)-2-propen-1-one
SpectraBase Compound ID EfaIb43A9po
InChI InChI=1S/C17H16F3N3O3/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/h2-6,9-10H,7-8,11H2,1H3/b14-6+
InChIKey XUGVPPNLSSUYSA-MKMNVTDBSA-N
Mol Weight 367.33 g/mol
Molecular Formula C17H16F3N3O3
Exact Mass 367.114376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMvAoYBnapk
Name cis-3-(4-Trifluoromethyl-phenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazolyl)-2-propen-1-one
CAS Registry Number 81304-50-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H16F3N3O3
InChI InChI=1S/C17H16F3N3O3/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/h2-6,9-10H,7-8,11H2,1H3/b14-6+
InChIKey XUGVPPNLSSUYSA-MKMNVTDBSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3