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Fumaric acid, ethyl 3-methylbut-2-yl ester

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

Fumaric acid, ethyl 3-methylbut-2-yl ester
SpectraBase Compound ID 4jdO37Zpk48
InChI InChI=1S/C11H18O4/c1-5-14-10(12)6-7-11(13)15-9(4)8(2)3/h6-9H,5H2,1-4H3/b7-6+
InChIKey ZYMNTZKXROHRFD-VOTSOKGWSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GFd0QoWkm2I
Name Fumaric acid, ethyl 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.120509056 u
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-5-14-10(12)6-7-11(13)15-9(4)8(2)3/h6-9H,5H2,1-4H3/b7-6+
InChIKey ZYMNTZKXROHRFD-VOTSOKGWSA-N
Molecular Weight 214.261 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888298