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Adipic acid, cis-non-3-enyl dodecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, cis-non-3-enyl dodecyl ester
SpectraBase Compound ID 6LWzo4dxNgd
InChI InChI=1S/C27H50O4/c1-3-5-7-9-11-12-13-15-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-16-14-10-8-6-4-2/h14,16H,3-13,15,17-25H2,1-2H3/b16-14-
InChIKey FYRHOMPCEBFRDY-PEZBUJJGSA-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 8138KtSJebU
Name Adipic acid, cis-non-3-enyl dodecyl 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/c1-3-5-7-9-11-12-13-15-17-21-25-31-27(29)23-19-18-22-26(28)30-24-20-16-14-10-8-6-4-2/h14,16H,3-13,15,17-25H2,1-2H3/b16-14-
InChIKey FYRHOMPCEBFRDY-PEZBUJJGSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCCCCCCCCC)=O