| SpectraBase Spectrum ID |
JO9PZZLmjNi |
| Name |
Fumaric acid, 4-methoxybenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-3-4-5-12-21-16(18)10-11-17(19)22-13-14-6-8-15(20-2)9-7-14/h6-11H,3-5,12-13H2,1-2H3/b11-10+ |
| InChIKey |
KEZJGQLJYCKNID-ZHACJKMWSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965618 |
