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Fumaric acid, 2-ethylhexyl dodec-2-en-1-yl ester
SpectraBase Compound ID 3XwMQ0NlR7o
InChI InChI=1S/C24H42O4/c1-4-7-9-10-11-12-13-14-15-16-20-27-23(25)18-19-24(26)28-21-22(6-3)17-8-5-2/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3/b16-15+,19-18+
InChIKey BMZDHNMRAYTARU-QQHFCDNLSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jisa6ikom2b
Name Fumaric acid, 2-ethylhexyl dodec-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-4-7-9-10-11-12-13-14-15-16-20-27-23(25)18-19-24(26)28-21-22(6-3)17-8-5-2/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3/b16-15+,19-18+
InChIKey BMZDHNMRAYTARU-QQHFCDNLSA-N
Molecular Weight 394.596 g/mol
SMILES C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCC(CC)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977812