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5,5-Dimethyl-2-(1-naphthylmethyl)-2-pentyl-1,3-cyclohexanedione

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

5,5-Dimethyl-2-(1-naphthylmethyl)-2-pentyl-1,3-cyclohexanedione
SpectraBase Compound ID CVISYabCOCg
InChI InChI=1S/C24H30O2/c1-4-5-8-14-24(21(25)16-23(2,3)17-22(24)26)15-19-12-9-11-18-10-6-7-13-20(18)19/h6-7,9-13H,4-5,8,14-17H2,1-3H3
InChIKey OMHAVHMTXGGKSK-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C24H30O2
Exact Mass 350.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6FQpezbTtv
Name 5,5-Dimethyl-2-(1-naphthylmethyl)-2-pentyl-1,3-cyclohexanedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.224580204 u
Formula C24H30O2
InChI InChI=1S/C24H30O2/c1-4-5-8-14-24(21(25)16-23(2,3)17-22(24)26)15-19-12-9-11-18-10-6-7-13-20(18)19/h6-7,9-13H,4-5,8,14-17H2,1-3H3
InChIKey OMHAVHMTXGGKSK-UHFFFAOYSA-N
Molecular Weight 350.502 g/mol
SMILES C1=CC=2C(=CC=CC2C=C1)CC1(C(CC(C)(C)CC1=O)=O)CCCCC