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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

View entire compound with spectra: 1 NMR, and 2 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrLONA2z804
Name (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]-2-propen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 369.344 g/mol
SMILES OC(\C(=C/c1ccc(cc1)C(F)(F)F)[n]1cncn1)C1(COCOC1)C
SPLASH splash10-014i-9160000000-6dca94a1f9b35e5b434c
Synonyms (E)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
Wiley ID 1471843