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Fumaric acid, heptadecyl tetrahydrofurfuryl ester

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

Fumaric acid, heptadecyl tetrahydrofurfuryl ester
SpectraBase Compound ID 14ObRNPGovi
InChI InChI=1S/C26H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25(27)19-20-26(28)31-23-24-18-17-22-29-24/h19-20,24H,2-18,21-23H2,1H3/b20-19+
InChIKey YPLBHBBRTDAIBL-FMQUCBEESA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H46O5
Exact Mass 438.334525 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LIuOlZ5PZcl
Name Fumaric acid, heptadecyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.334524576 u
Formula C26H46O5
InChI InChI=1S/C26H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25(27)19-20-26(28)31-23-24-18-17-22-29-24/h19-20,24H,2-18,21-23H2,1H3/b20-19+
InChIKey YPLBHBBRTDAIBL-FMQUCBEESA-N
Molecular Weight 438.649 g/mol
SMILES C(CCCCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95343