SpectraBase Spectrum ID |
FrMFajYr2Ba |
Name |
Fumaric acid, decyl tetrahydrofurfuryl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
340.224974125 u |
Formula |
C19H32O5 |
InChI |
InChI=1S/C19H32O5/c1-2-3-4-5-6-7-8-9-14-23-18(20)12-13-19(21)24-16-17-11-10-15-22-17/h12-13,17H,2-11,14-16H2,1H3/b13-12+ |
InChIKey |
HMXGKABNNMOPOJ-OUKQBFOZSA-N |
Molecular Weight |
340.460 g/mol |
SMILES |
CCCCCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948763 |