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Acetic acid 2-((E)-4,8-dimethyl-nona-3,7-dienyl)-2-methyl-3-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cyclopropylmethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Acetic acid 2-((E)-4,8-dimethyl-nona-3,7-dienyl)-2-methyl-3-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cyclopropylmethyl ester
SpectraBase Compound ID 34REDaw4HQK
InChI InChI=1S/C32H52O2/c1-24(2)14-10-16-26(5)18-12-19-28(7)22-30-31(23-34-29(8)33)32(30,9)21-13-20-27(6)17-11-15-25(3)4/h14-15,18,20,22,30-31H,10-13,16-17,19,21,23H2,1-9H3/b26-18+,27-20+,28-22+
InChIKey BSKWKUAINITATI-FWTJABPESA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYEY9vi1ly9
Name Acetic acid 2-((E)-4,8-dimethyl-nona-3,7-dienyl)-2-methyl-3-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-cyclopropylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.396730912 u
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-24(2)14-10-16-26(5)18-12-19-28(7)22-30-31(23-34-29(8)33)32(30,9)21-13-20-27(6)17-11-15-25(3)4/h14-15,18,20,22,30-31H,10-13,16-17,19,21,23H2,1-9H3/b26-18+,27-20+,28-22+
InChIKey BSKWKUAINITATI-FWTJABPESA-N
Molecular Weight 468.766 g/mol
SMILES C1(C(CC\C=C\(CCC=C(C)C)C)(C)C1COC(=O)C)\C=C\(CC\C=C\(CCC=C(C)C)C)C