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

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, hexadecyl trans-hex-3-enyl ester
SpectraBase Compound ID LGdxoCoDWHG
InChI InChI=1S/C26H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24-30-26(28)22-21-25(27)29-23-19-8-6-4-2/h6,8,21-22H,3-5,7,9-20,23-24H2,1-2H3/b8-6+,22-21+
InChIKey ZJPWZNLKZXPKHJ-GAAZXUNESA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eO9b577WZj
Name Fumaric 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 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24-30-26(28)22-21-25(27)29-23-19-8-6-4-2/h6,8,21-22H,3-5,7,9-20,23-24H2,1-2H3/b8-6+,22-21+
InChIKey ZJPWZNLKZXPKHJ-GAAZXUNESA-N
Molecular Weight 422.650 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O