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Fumaric acid, hexyl tetrahydrofurfuryl ester

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Fumaric acid, hexyl tetrahydrofurfuryl ester
SpectraBase Compound ID 1QoUtAQ6FK7
InChI InChI=1S/C15H24O5/c1-2-3-4-5-10-19-14(16)8-9-15(17)20-12-13-7-6-11-18-13/h8-9,13H,2-7,10-12H2,1H3/b9-8+
InChIKey PRIHLYHSVAZOSR-CMDGGOBGSA-N
Mol Weight 284.35 g/mol
Molecular Formula C15H24O5
Exact Mass 284.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ygHKPVVJ5a
Name Fumaric acid, hexyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.162373868 u
Formula C15H24O5
InChI InChI=1S/C15H24O5/c1-2-3-4-5-10-19-14(16)8-9-15(17)20-12-13-7-6-11-18-13/h8-9,13H,2-7,10-12H2,1H3/b9-8+
InChIKey PRIHLYHSVAZOSR-CMDGGOBGSA-N
SMILES CCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934231