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Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-yl ester

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Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-yl ester
SpectraBase Compound ID 2yyMedrhwDu
InChI InChI=1S/C17H30O4/c1-12(2)14(4)21-16(19)9-8-15(18)20-11-13(3)10-17(5,6)7/h8-9,12-14H,10-11H2,1-7H3/b9-8+
InChIKey ULINRDVYPHZRRN-CMDGGOBGSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2R0x4v3fWHw
Name Fumaric acid, 2,4,4-trimethylpentyl 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 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-12(2)14(4)21-16(19)9-8-15(18)20-11-13(3)10-17(5,6)7/h8-9,12-14H,10-11H2,1-7H3/b9-8+
InChIKey ULINRDVYPHZRRN-CMDGGOBGSA-N
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCC(CC(C)(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98504