| SpectraBase Spectrum ID |
Lsg3AYVmDfT |
| Name |
Fumaric acid, isohexyl 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/c1-14(2)5-4-12-22-17(19)10-11-18(20)23-13-15-6-8-16(21-3)9-7-15/h6-11,14H,4-5,12-13H2,1-3H3/b11-10+ |
| InChIKey |
YWBYLCZLYJJIQZ-ZHACJKMWSA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
C(OC(\C=C\C(OCC1=CC=C(OC)C=C1)=O)=O)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942023 |
