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Fumaric acid, 2,4,4-trimethylpentyl dodec-2-en-1-yl ester

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

Fumaric acid, 2,4,4-trimethylpentyl dodec-2-en-1-yl ester
SpectraBase Compound ID IrD8y4w0Zpl
InChI InChI=1S/C24H42O4/c1-6-7-8-9-10-11-12-13-14-15-18-27-22(25)16-17-23(26)28-20-21(2)19-24(3,4)5/h14-17,21H,6-13,18-20H2,1-5H3/b15-14+,17-16+
InChIKey PJGVABQJYMGKNQ-JLXBFWJWSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAT2kReVngI
Name Fumaric acid, 2,4,4-trimethylpentyl dodec-2-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-6-7-8-9-10-11-12-13-14-15-18-27-22(25)16-17-23(26)28-20-21(2)19-24(3,4)5/h14-17,21H,6-13,18-20H2,1-5H3/b15-14+,17-16+
InChIKey PJGVABQJYMGKNQ-JLXBFWJWSA-N
Molecular Weight 394.596 g/mol
SMILES C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCC(CC(C)(C)C)C)=O