| SpectraBase Spectrum ID |
6JZBivWgxPG |
| Name |
Fumaric acid, hexyl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.162373868 u |
| Formula |
C18H24O5 |
| InChI |
InChI=1S/C18H24O5/c1-3-4-5-6-13-22-17(19)11-12-18(20)23-14-15-7-9-16(21-2)10-8-15/h7-12H,3-6,13-14H2,1-2H3/b12-11+ |
| InChIKey |
ZFMZNWJIDWKHIQ-VAWYXSNFSA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943491 |
