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1-Pentanone, 5-(4-chloro-2-methylphenoxy)-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-(4-chloro-2-methylphenoxy)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID GlAFRmchcNe
InChI InChI=1S/C19H24ClN3O4/c1-14-8-15(20)5-6-17(14)27-7-3-4-16(23-12-21-11-22-23)18(24)19(2)9-25-13-26-10-19/h5-6,8,11-12,16H,3-4,7,9-10,13H2,1-2H3
InChIKey STDQDUDMJZTILJ-UHFFFAOYSA-N
Mol Weight 393.87 g/mol
Molecular Formula C19H24ClN3O4
Exact Mass 393.145534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVTcvz6242R
Name 1-Pentanone, 5-(4-chloro-2-methylphenoxy)-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 393.145533961 u
Formula C19H24ClN3O4
InChI InChI=1S/C19H24ClN3O4/c1-14-8-15(20)5-6-17(14)27-7-3-4-16(23-12-21-11-22-23)18(24)19(2)9-25-13-26-10-19/h5-6,8,11-12,16H,3-4,7,9-10,13H2,1-2H3
InChIKey STDQDUDMJZTILJ-UHFFFAOYSA-N
Molecular Weight 393.871 g/mol
SMILES C1(=C(C=CC(=C1)Cl)OCCCC(C(C1(COCOC1)C)=O)N1N=CN=C1)C