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1-Hexanone, 6-(2,4-dimethylphenoxy)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Hexanone, 6-(2,4-dimethylphenoxy)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID FHGduGiq8Nh
InChI InChI=1S/C21H29N3O4/c1-16-7-8-19(17(2)10-16)28-9-5-4-6-18(24-14-22-13-23-24)20(25)21(3)11-26-15-27-12-21/h7-8,10,13-14,18H,4-6,9,11-12,15H2,1-3H3
InChIKey VJDKPGFNWKMOJO-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C21H29N3O4
Exact Mass 387.215806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIfpA7MRHzU
Name 1-Hexanone, 6-(2,4-dimethylphenoxy)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.215806422 u
Formula C21H29N3O4
InChI InChI=1S/C21H29N3O4/c1-16-7-8-19(17(2)10-16)28-9-5-4-6-18(24-14-22-13-23-24)20(25)21(3)11-26-15-27-12-21/h7-8,10,13-14,18H,4-6,9,11-12,15H2,1-3H3
InChIKey VJDKPGFNWKMOJO-UHFFFAOYSA-N
Molecular Weight 387.480 g/mol
SMILES C1(=C(C=C(C=C1)C)C)OCCCCC(C(C1(COCOC1)C)=O)N1N=CN=C1