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

View entire compound with spectra: 1 NMR

Adipic acid, hexadecyl trans-hex-3-enyl ester
SpectraBase Compound ID 49CkqDI6xtH
InChI InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-32-28(30)24-20-19-23-27(29)31-25-21-8-6-4-2/h6,8H,3-5,7,9-26H2,1-2H3/b8-6+
InChIKey VFOCHYXWAFNOGA-SOFGYWHQSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4c5giPHQ0p9
Name Adipic acid, hexadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-32-28(30)24-20-19-23-27(29)31-25-21-8-6-4-2/h6,8H,3-5,7,9-26H2,1-2H3/b8-6+
InChIKey VFOCHYXWAFNOGA-SOFGYWHQSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCCCCCC)=O