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Fumaric acid, di(3-methylbut-3-enyl) ester
SpectraBase Compound ID 5Nxd8vVdK8O
InChI InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-6H,1,3,7-10H2,2,4H3/b6-5+
InChIKey CEBGQTGJJSUMKF-AATRIKPKSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AHNnIhhrptn
Name Fumaric acid, di(3-methylbut-3-enyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.136159120 u
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-6H,1,3,7-10H2,2,4H3/b6-5+
InChIKey CEBGQTGJJSUMKF-AATRIKPKSA-N
Molecular Weight 252.310 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCC(C)=C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980384