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Fumaric acid, allyl isobutyl ester

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

Fumaric acid, allyl isobutyl ester
SpectraBase Compound ID ARDqoiGo3Sl
InChI InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKey UEMPRRXIBDWLPE-AATRIKPKSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DPHquyc1NX2
Name Fumaric acid, allyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.104858991 u
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h4-6,9H,1,7-8H2,2-3H3/b6-5+
InChIKey UEMPRRXIBDWLPE-AATRIKPKSA-N
Molecular Weight 212.245 g/mol
SMILES C(\C=C\C(=O)OCC=C)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959643