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Fumaric acid, allyl dodecyl ester

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

Fumaric acid, allyl dodecyl ester
SpectraBase Compound ID DPXbwTLT6Dh
InChI InChI=1S/C19H32O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-18(20)22-16-4-2/h4,14-15H,2-3,5-13,16-17H2,1H3/b15-14+
InChIKey KKSGNHFNROLFRO-CCEZHUSRSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3N17z4NeXXZ
Name Fumaric acid, allyl dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.230059506 u
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-19(21)15-14-18(20)22-16-4-2/h4,14-15H,2-3,5-13,16-17H2,1H3/b15-14+
InChIKey KKSGNHFNROLFRO-CCEZHUSRSA-N
Molecular Weight 324.461 g/mol
SMILES C(CCCCCCCOC(\C=C\C(OCC=C)=O)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965288