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Adipic acid, heptyl tetradec-11-enyl ester

View entire compound with spectra: 1 NMR

Adipic acid, heptyl tetradec-11-enyl ester
SpectraBase Compound ID GQfg9KpcpWG
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-16-8-6-4-2/h5,7H,3-4,6,8-25H2,1-2H3/b7-5+
InChIKey YDJVBYXXBKAZNP-FNORWQNLSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xmfn1RjKFe
Name Adipic acid, heptyl tetradec-11-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-16-8-6-4-2/h5,7H,3-4,6,8-25H2,1-2H3/b7-5+
InChIKey YDJVBYXXBKAZNP-FNORWQNLSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCC(OCCCCCCCCCC\C=C\CC)=O)CC(OCCCCCCC)=O