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Fumaric acid, propyl tetrahydrofurfuryl ester

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

Fumaric acid, propyl tetrahydrofurfuryl ester
SpectraBase Compound ID CgR0phvxbnN
InChI InChI=1S/C12H18O5/c1-2-7-16-11(13)5-6-12(14)17-9-10-4-3-8-15-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKey YTCWRTXHFIAOGV-AATRIKPKSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IkdfuZHvnu8
Name Fumaric acid, propyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.115423675 u
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-2-7-16-11(13)5-6-12(14)17-9-10-4-3-8-15-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKey YTCWRTXHFIAOGV-AATRIKPKSA-N
Molecular Weight 242.271 g/mol
SMILES CCCOC(\C=C\C(OCC1CCCO1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971728