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Fumaric acid, octyl tetrahydrofurfuryl ester

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

Fumaric acid, octyl tetrahydrofurfuryl ester
SpectraBase Compound ID GyHMonopTwW
InChI InChI=1S/C17H28O5/c1-2-3-4-5-6-7-12-21-16(18)10-11-17(19)22-14-15-9-8-13-20-15/h10-11,15H,2-9,12-14H2,1H3/b11-10+
InChIKey PQVKDYGLPNBSRF-ZHACJKMWSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GUI2RCj0cXN
Name Fumaric acid, octyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.193673997 u
Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-2-3-4-5-6-7-12-21-16(18)10-11-17(19)22-14-15-9-8-13-20-15/h10-11,15H,2-9,12-14H2,1H3/b11-10+
InChIKey PQVKDYGLPNBSRF-ZHACJKMWSA-N
Molecular Weight 312.406 g/mol
SMILES CCCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801155