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Adipic acid, octyl tetradec-11-enyl ester

View entire compound with spectra: 1 NMR

Adipic acid, octyl tetradec-11-enyl ester
SpectraBase Compound ID F8Ir2sFMSXB
InChI InChI=1S/C28H52O4/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-32-28(30)24-20-19-23-27(29)31-25-21-17-10-8-6-4-2/h5,7H,3-4,6,8-26H2,1-2H3/b7-5+
InChIKey LRPBPKISJFDSBI-FNORWQNLSA-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 8in9zMf1PaB
Name Adipic acid, octyl tetradec-11-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/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-32-28(30)24-20-19-23-27(29)31-25-21-17-10-8-6-4-2/h5,7H,3-4,6,8-26H2,1-2H3/b7-5+
InChIKey LRPBPKISJFDSBI-FNORWQNLSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCC(OCCCCCCCCCC\C=C\CC)=O)CC(OCCCCCCCC)=O