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1-Pentanone, 5-(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-Pentanone, 5-(2,4-dimethylphenoxy)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID Ach67m2ndaj
InChI InChI=1S/C20H27N3O4/c1-15-6-7-18(16(2)9-15)27-8-4-5-17(23-13-21-12-22-23)19(24)20(3)10-25-14-26-11-20/h6-7,9,12-13,17H,4-5,8,10-11,14H2,1-3H3
InChIKey FKLOEQWGFRLHGT-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C20H27N3O4
Exact Mass 373.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnT2qUXETH5
Name 1-Pentanone, 5-(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 373.200156357 u
Formula C20H27N3O4
InChI InChI=1S/C20H27N3O4/c1-15-6-7-18(16(2)9-15)27-8-4-5-17(23-13-21-12-22-23)19(24)20(3)10-25-14-26-11-20/h6-7,9,12-13,17H,4-5,8,10-11,14H2,1-3H3
InChIKey FKLOEQWGFRLHGT-UHFFFAOYSA-N
Molecular Weight 373.453 g/mol
SMILES C1(=C(C=C(C=C1)C)C)OCCCC(C(=O)C1(COCOC1)C)N1C=NC=N1