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

View entire compound with spectra: 1 NMR

Adipic acid, heptadecyl trans-hex-3-enyl ester
SpectraBase Compound ID 3oGmigISjUo
InChI InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-20-24-28(30)32-26-22-8-6-4-2/h6,8H,3-5,7,9-27H2,1-2H3/b8-6+
InChIKey HVGZSWXSJBLGNE-SOFGYWHQSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88qmYvr3hYV
Name Adipic acid, heptadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-20-24-28(30)32-26-22-8-6-4-2/h6,8H,3-5,7,9-27H2,1-2H3/b8-6+
InChIKey HVGZSWXSJBLGNE-SOFGYWHQSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCCCCCCC)=O