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Fumaric acid, di(3,3-dimethylbut-2-yl) ester

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

Fumaric acid, di(3,3-dimethylbut-2-yl) ester
SpectraBase Compound ID RZtW5LxqAO
InChI InChI=1S/C16H28O4/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h9-12H,1-8H3/b10-9+
InChIKey KWLHKXVMTJVPQF-MDZDMXLPSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BwVKSgmDF5Q
Name Fumaric acid, di(3,3-dimethylbut-2-yl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h9-12H,1-8H3/b10-9+
InChIKey KWLHKXVMTJVPQF-MDZDMXLPSA-N
SMILES C(OC(C(C)(C)C)C)(\C=C\C(OC(C(C)(C)C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974988