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3-Octanone, 8-(3-methoxyphenoxy)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-

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3-Octanone, 8-(3-methoxyphenoxy)-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID 7K3GGTh5Qx8
InChI InChI=1S/C19H27N3O3/c1-19(2,3)18(23)17(22-14-20-13-21-22)10-5-6-11-25-16-9-7-8-15(12-16)24-4/h7-9,12-14,17H,5-6,10-11H2,1-4H3
InChIKey MJMAORUAKAEQDB-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C19H27N3O3
Exact Mass 345.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gxjmqqIJUk
Name 3-Octanone, 8-(3-methoxyphenoxy)-2,2-dimethyl-4-(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 345.205241738 u
Formula C19H27N3O3
InChI InChI=1S/C19H27N3O3/c1-19(2,3)18(23)17(22-14-20-13-21-22)10-5-6-11-25-16-9-7-8-15(12-16)24-4/h7-9,12-14,17H,5-6,10-11H2,1-4H3
InChIKey MJMAORUAKAEQDB-UHFFFAOYSA-N
Molecular Weight 345.443 g/mol
SMILES C1=CC(=CC(=C1)OC)OCCCCC(C(C(C)(C)C)=O)N1N=CN=C1