| SpectraBase Spectrum ID |
9kIsrW777lC |
| Name |
Fumaric acid, 2-pentyl naphth-2-ylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-3-6-15(2)24-20(22)12-11-19(21)23-14-16-9-10-17-7-4-5-8-18(17)13-16/h4-5,7-13,15H,3,6,14H2,1-2H3/b12-11+ |
| InChIKey |
TVVDUBSOBJONGT-VAWYXSNFSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C(\C=C\C(OCC1=CC2=C(C=CC=C2)C=C1)=O)(OC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852306 |
