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Fumaric acid, 2-chloroethyl decyl ester

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

Fumaric acid, 2-chloroethyl decyl ester
SpectraBase Compound ID AZwV22b2ASg
InChI InChI=1S/C16H27ClO4/c1-2-3-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+
InChIKey PVGIRBRGUBSCNI-ZHACJKMWSA-N
Mol Weight 318.84 g/mol
Molecular Formula C16H27ClO4
Exact Mass 318.159787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvFvxiTxl23
Name Fumaric acid, 2-chloroethyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.159787045 u
Formula C16H27ClO4
InChI InChI=1S/C16H27ClO4/c1-2-3-4-5-6-7-8-9-13-20-15(18)10-11-16(19)21-14-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+
InChIKey PVGIRBRGUBSCNI-ZHACJKMWSA-N
Molecular Weight 318.841 g/mol
SMILES CCCCCCCCCCOC(\C=C\C(OCCCl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903525