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Fumaric acid, neopentyl pentyl ester

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

Fumaric acid, neopentyl pentyl ester
SpectraBase Compound ID HFjWISNp3dk
InChI InChI=1S/C14H24O4/c1-5-6-7-10-17-12(15)8-9-13(16)18-11-14(2,3)4/h8-9H,5-7,10-11H2,1-4H3/b9-8+
InChIKey QENMFWPMRASPPI-CMDGGOBGSA-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 IvRC2nViCLt
Name Fumaric acid, neopentyl pentyl 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/c1-5-6-7-10-17-12(15)8-9-13(16)18-11-14(2,3)4/h8-9H,5-7,10-11H2,1-4H3/b9-8+
InChIKey QENMFWPMRASPPI-CMDGGOBGSA-N
Molecular Weight 256.342 g/mol
SMILES CCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971643