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Fumaric acid, 10-chlorodecyl decyl ester

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

Fumaric acid, 10-chlorodecyl decyl ester
SpectraBase Compound ID DF2OSAU4ecS
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-10-13-16-21-28-23(26)18-19-24(27)29-22-17-14-11-8-7-9-12-15-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+
InChIKey LOOMFFOETFJREH-VHEBQXMUSA-N
Mol Weight 431.1 g/mol
Molecular Formula C24H43ClO4
Exact Mass 430.284988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AjbAE2iTC45
Name Fumaric acid, 10-chlorodecyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.284987561 u
Formula C24H43ClO4
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-10-13-16-21-28-23(26)18-19-24(27)29-22-17-14-11-8-7-9-12-15-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+
InChIKey LOOMFFOETFJREH-VHEBQXMUSA-N
Molecular Weight 431.057 g/mol
SMILES C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958833