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3-Octanone, 2,2-dimethyl-8-phenyl-5-(3-pyridinyl)-

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

3-Octanone, 2,2-dimethyl-8-phenyl-5-(3-pyridinyl)-
SpectraBase Compound ID F3TJOv58F5Y
InChI InChI=1S/C21H27NO/c1-21(2,3)20(23)15-18(19-13-8-14-22-16-19)12-7-11-17-9-5-4-6-10-17/h4-6,8-10,13-14,16,18H,7,11-12,15H2,1-3H3
InChIKey AGLCQCRNZQJVJG-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o1aVxhIfQM
Name 3-Octanone, 2,2-dimethyl-8-phenyl-5-(3-pyridinyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-21(2,3)20(23)15-18(19-13-8-14-22-16-19)12-7-11-17-9-5-4-6-10-17/h4-6,8-10,13-14,16,18H,7,11-12,15H2,1-3H3
InChIKey AGLCQCRNZQJVJG-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES C1=C(C=CC=N1)C(CCCC1=CC=CC=C1)CC(=O)C(C)(C)C