| SpectraBase Spectrum ID |
BmF34QbxXlv |
| Name |
Fumaric acid, tetradecyl tetrahydrofurfuryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.287574383 u |
| Formula |
C23H40O5 |
| InChI |
InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(24)16-17-23(25)28-20-21-15-14-19-26-21/h16-17,21H,2-15,18-20H2,1H3/b17-16+ |
| InChIKey |
UKPNRWHITFNZMS-WUKNDPDISA-N |
| Molecular Weight |
396.568 g/mol |
| SMILES |
C(CCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940895 |
