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(2E,4E,6Z,8E)-9-(2,6,6-Trimethylcyclohex-1-en-1-yl)-3,7,8-triimethylnona-2,4,6,8-tetraenal [(9Z)-8-methylretinal]
SpectraBase Compound ID OReim1CvmG
InChI InChI=1S/C21H30O/c1-16(12-14-22)9-7-10-17(2)19(4)15-20-18(3)11-8-13-21(20,5)6/h7,9-10,12,14-15H,8,11,13H2,1-6H3/b9-7+,16-12+,17-10-,19-15+
InChIKey KPQPGHITUREEIP-DWIISJFZSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4kfqhUW55x
Name (2E,4E,6Z,8E)-9-(2,6,6-Trimethylcyclohex-1-en-1-yl)-3,7,8-triimethylnona-2,4,6,8-tetraenal [(9Z)-8-methylretinal]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.229665585 u
Formula C21H30O
InChI InChI=1S/C21H30O/c1-16(12-14-22)9-7-10-17(2)19(4)15-20-18(3)11-8-13-21(20,5)6/h7,9-10,12,14-15H,8,11,13H2,1-6H3/b9-7+,16-12+,17-10-,19-15+
InChIKey KPQPGHITUREEIP-DWIISJFZSA-N
SMILES C1(\C=C\(\C(=C/C=C/C(=C/C=O)C)C)C)=C(CCCC1(C)C)C