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2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (E,Z,Z,Z)-
SpectraBase Compound ID Edr5SJYs5PU
InChI InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9-,13-12-,16-10-,17-14+
InChIKey HQMNCQVAMBCHCO-OMDNMIDPSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Zatsj2DNrm
Name 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (E,Z,Z,Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.219494823 u
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9-,13-12-,16-10-,17-14+
InChIKey HQMNCQVAMBCHCO-OMDNMIDPSA-N
Molecular Weight 354.490 g/mol
SMILES C=1(C(=C(C)C(=CC1C)OC)C)\C=C/C(=C\C=C/C(=C/C(=O)OCC)C)C