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2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde
SpectraBase Compound ID 47f7v6naeBC
InChI InChI=1S/C23H32O/c1-18(9-7-13-20-11-5-6-12-21(20)17-24)14-15-22-19(2)10-8-16-23(22,3)4/h7,9,13-15,17H,5-6,8,10-12,16H2,1-4H3/b13-7+,15-14+,18-9+
InChIKey LGIKFBYSSJHCQR-ALLKAYEBSA-N
Mol Weight 324.5 g/mol
Molecular Formula C23H32O
Exact Mass 324.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sEdyfolHNM
Name 2-[4-Methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.245315649 u
Formula C23H32O
InChI InChI=1S/C23H32O/c1-18(9-7-13-20-11-5-6-12-21(20)17-24)14-15-22-19(2)10-8-16-23(22,3)4/h7,9,13-15,17H,5-6,8,10-12,16H2,1-4H3/b13-7+,15-14+,18-9+
InChIKey LGIKFBYSSJHCQR-ALLKAYEBSA-N
Molecular Weight 324.508 g/mol
SMILES C1(C(\C=C\C(=C\C=C\C=2CCCCC2C=O)C)=C(CCC1)C)(C)C