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Fumaric acid, 10-chlorodecyl isobutyl ester

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

Fumaric acid, 10-chlorodecyl isobutyl ester
SpectraBase Compound ID D2oUxjmYV64
InChI InChI=1S/C18H31ClO4/c1-16(2)15-23-18(21)12-11-17(20)22-14-10-8-6-4-3-5-7-9-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+
InChIKey PEYWTQAYPGMLGO-VAWYXSNFSA-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 8PqWEyeg7hv
Name Fumaric acid, 10-chlorodecyl isobutyl 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/c1-16(2)15-23-18(21)12-11-17(20)22-14-10-8-6-4-3-5-7-9-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+
InChIKey PEYWTQAYPGMLGO-VAWYXSNFSA-N
Molecular Weight 346.895 g/mol
SMILES C(OCCCCCCCCCCCl)(\C=C\C(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87197