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1,5,11-Cyclotetradecatriene-1-carboxylic acid, 5,11-dimethyl-8-(5-methyl-1-methylene-4-hexenyl)-, [R-(Z,Z,E)]-
SpectraBase Compound ID DxCLq1ZAvn5
InChI InChI=1S/C25H38O2/c1-19(2)9-6-12-22(5)23-17-15-20(3)10-7-13-24(25(26)27)14-8-11-21(4)16-18-23/h9-10,14,16,23H,5-8,11-13,15,17-18H2,1-4H3,(H,26,27)/b20-10-,21-16-,24-14+/t23-/m1/s1
InChIKey HJOWIGBOCUVVEY-HPKCTAJMSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0B56P31ytp
Name 1,5,11-Cyclotetradecatriene-1-carboxylic acid, 5,11-dimethyl-8-(5-methyl-1-methylene-4-hexenyl)-, [R-(Z,Z,E)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.287180462 u
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-19(2)9-6-12-22(5)23-17-15-20(3)10-7-13-24(25(26)27)14-8-11-21(4)16-18-23/h9-10,14,16,23H,5-8,11-13,15,17-18H2,1-4H3,(H,26,27)/b20-10-,21-16-,24-14+/t23-/m1/s1
InChIKey HJOWIGBOCUVVEY-HPKCTAJMSA-N
Molecular Weight 370.577 g/mol
SMILES C(\C1=C\CC\C(=C/C[C@](C(=C)CCC=C(C)C)(CC\C(=C/CC1)C)[H])C)(=O)O