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Adipic acid, tetradecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Adipic acid, tetradecyl trans-hex-3-enyl ester
SpectraBase Compound ID GNy6pFPddDn
InChI InChI=1S/C26H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-30-26(28)22-18-17-21-25(27)29-23-19-8-6-4-2/h6,8H,3-5,7,9-24H2,1-2H3/b8-6+
InChIKey QIABJKGMDGVFEW-SOFGYWHQSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QAhkvoso34
Name Adipic acid, tetradecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-30-26(28)22-18-17-21-25(27)29-23-19-8-6-4-2/h6,8H,3-5,7,9-24H2,1-2H3/b8-6+
InChIKey QIABJKGMDGVFEW-SOFGYWHQSA-N
Molecular Weight 424.666 g/mol
SMILES C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCCCC)=O