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1,5,9-Cyclotetradecatriene-1-carboxylic acid, 5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-, methyl ester, [R-(E,E,Z)]-
SpectraBase Compound ID LCSHFdhAsvW
InChI InChI=1S/C26H40O2/c1-20(2)10-7-14-23(5)24-17-16-22(4)12-8-11-21(3)13-9-15-25(19-18-24)26(27)28-6/h10-11,15-16,24H,5,7-9,12-14,17-19H2,1-4,6H3/b21-11-,22-16-,25-15+/t24-/m0/s1
InChIKey KCRZTXLUSQNUBI-CXXUIYLBSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzBHlwZW2wp
Name 1,5,9-Cyclotetradecatriene-1-carboxylic acid, 5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-, methyl ester, [R-(E,E,Z)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.302830526 u
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-20(2)10-7-14-23(5)24-17-16-22(4)12-8-11-21(3)13-9-15-25(19-18-24)26(27)28-6/h10-11,15-16,24H,5,7-9,12-14,17-19H2,1-4,6H3/b21-11-,22-16-,25-15+/t24-/m0/s1
InChIKey KCRZTXLUSQNUBI-CXXUIYLBSA-N
Molecular Weight 384.604 g/mol
SMILES C(\C=1CC[C@@](C(=C)CCC=C(C)C)(C\C=C\(C)CC\C=C/(CCC\1)C)[H])(=O)OC