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Fumaric acid, 10-chlorodecyl pentyl ester

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Fumaric acid, 10-chlorodecyl pentyl ester
SpectraBase Compound ID 9C3FZdDkvi4
InChI InChI=1S/C19H33ClO4/c1-2-3-11-16-23-18(21)13-14-19(22)24-17-12-9-7-5-4-6-8-10-15-20/h13-14H,2-12,15-17H2,1H3/b14-13+
InChIKey AHHWRJVIUFWBFV-BUHFOSPRSA-N
Mol Weight 360.9 g/mol
Molecular Formula C19H33ClO4
Exact Mass 360.206737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cAqp1zvpUS
Name Fumaric acid, 10-chlorodecyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.206737239 u
Formula C19H33ClO4
InChI InChI=1S/C19H33ClO4/c1-2-3-11-16-23-18(21)13-14-19(22)24-17-12-9-7-5-4-6-8-10-15-20/h13-14H,2-12,15-17H2,1H3/b14-13+
InChIKey AHHWRJVIUFWBFV-BUHFOSPRSA-N
Molecular Weight 360.922 g/mol
SMILES C(OCCCCCCCCCCCl)(\C=C\C(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828576