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Fumaric acid, 2-chloroethyl dodecyl ester

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

Fumaric acid, 2-chloroethyl dodecyl ester
SpectraBase Compound ID DC0yQy3W8jN
InChI InChI=1S/C18H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-15-22-17(20)12-13-18(21)23-16-14-19/h12-13H,2-11,14-16H2,1H3/b13-12+
InChIKey UUHHKTPHNPTKHU-OUKQBFOZSA-N
Mol Weight 346.9 g/mol
Molecular Formula C18H31ClO4
Exact Mass 346.191087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EfI6NDA3a4n
Name Fumaric acid, 2-chloroethyl dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.191087174 u
Formula C18H31ClO4
InChI InChI=1S/C18H31ClO4/c1-2-3-4-5-6-7-8-9-10-11-15-22-17(20)12-13-18(21)23-16-14-19/h12-13H,2-11,14-16H2,1H3/b13-12+
InChIKey UUHHKTPHNPTKHU-OUKQBFOZSA-N
Molecular Weight 346.895 g/mol
SMILES C(CCCCOC(\C=C\C(OCCCl)=O)=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965959