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3-Octanone, 4-(1H-imidazol-1-yl)-2,2-dimethyl-8-phenoxy-

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

3-Octanone, 4-(1H-imidazol-1-yl)-2,2-dimethyl-8-phenoxy-
SpectraBase Compound ID 7AyDJBhC5Ny
InChI InChI=1S/C19H26N2O2/c1-19(2,3)18(22)17(21-13-12-20-15-21)11-7-8-14-23-16-9-5-4-6-10-16/h4-6,9-10,12-13,15,17H,7-8,11,14H2,1-3H3
InChIKey SUBHOQLQPCCKRL-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C19H26N2O2
Exact Mass 314.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKGjSuY0ESG
Name 3-Octanone, 4-(1H-imidazol-1-yl)-2,2-dimethyl-8-phenoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.199428083 u
Formula C19H26N2O2
InChI InChI=1S/C19H26N2O2/c1-19(2,3)18(22)17(21-13-12-20-15-21)11-7-8-14-23-16-9-5-4-6-10-16/h4-6,9-10,12-13,15,17H,7-8,11,14H2,1-3H3
InChIKey SUBHOQLQPCCKRL-UHFFFAOYSA-N
Molecular Weight 314.429 g/mol
SMILES C1=C(C=CC=C1)OCCCCC(C(C(C)(C)C)=O)N1C=NC=C1