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Fumaric acid, dineopentyl ester

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Fumaric acid, dineopentyl ester
SpectraBase Compound ID LMm8iM3fDX7
InChI InChI=1S/C14H24O4/c1-13(2,3)9-17-11(15)7-8-12(16)18-10-14(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKey CIOZGLCXMLEEIC-BQYQJAHWSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6esY3F2sqdf
Name Fumaric acid, dineopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-13(2,3)9-17-11(15)7-8-12(16)18-10-14(4,5)6/h7-8H,9-10H2,1-6H3/b8-7+
InChIKey CIOZGLCXMLEEIC-BQYQJAHWSA-N
Molecular Weight 256.342 g/mol
SMILES C(COC(\C=C\C(OCC(C)(C)C)=O)=O)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977386