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Fumaric acid, 2-chloroethyl isobutyl ester

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

Fumaric acid, 2-chloroethyl isobutyl ester
SpectraBase Compound ID 8IEqNev5neW
InChI InChI=1S/C10H15ClO4/c1-8(2)7-15-10(13)4-3-9(12)14-6-5-11/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKey IBEQIDKPXWNARK-ONEGZZNKSA-N
Mol Weight 234.68 g/mol
Molecular Formula C10H15ClO4
Exact Mass 234.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A17w50goGFn
Name Fumaric acid, 2-chloroethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.065886659 u
Formula C10H15ClO4
InChI InChI=1S/C10H15ClO4/c1-8(2)7-15-10(13)4-3-9(12)14-6-5-11/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKey IBEQIDKPXWNARK-ONEGZZNKSA-N
Molecular Weight 234.679 g/mol
SMILES CC(COC(\C=C\C(OCCCl)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951864