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3-Nonanone, 2,2-dimethyl-9-(4-methylphenoxy)-5-(3-pyridinyl)-

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

3-Nonanone, 2,2-dimethyl-9-(4-methylphenoxy)-5-(3-pyridinyl)-
SpectraBase Compound ID 2tU60nYblqD
InChI InChI=1S/C23H31NO2/c1-18-10-12-21(13-11-18)26-15-6-5-8-19(16-22(25)23(2,3)4)20-9-7-14-24-17-20/h7,9-14,17,19H,5-6,8,15-16H2,1-4H3
InChIKey PLKWPCBLHSTEBW-UHFFFAOYSA-N
Mol Weight 353.51 g/mol
Molecular Formula C23H31NO2
Exact Mass 353.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JGI9afN7vi
Name 3-Nonanone, 2,2-dimethyl-9-(4-methylphenoxy)-5-(3-pyridinyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.235479240 u
Formula C23H31NO2
InChI InChI=1S/C23H31NO2/c1-18-10-12-21(13-11-18)26-15-6-5-8-19(16-22(25)23(2,3)4)20-9-7-14-24-17-20/h7,9-14,17,19H,5-6,8,15-16H2,1-4H3
InChIKey PLKWPCBLHSTEBW-UHFFFAOYSA-N
Molecular Weight 353.506 g/mol
SMILES C1=C(C=CC=N1)C(CCCCOC1=CC=C(C=C1)C)CC(=O)C(C)(C)C