| SpectraBase Spectrum ID |
F1OMUf8ckgQ |
| Name |
(2E)-4-Methoxybenzoic acid hexa-2,5-dienyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h3,5-10H,1,4,11H2,2H3/b6-5+ |
| InChIKey |
MMHAXEDEWKTTTA-AATRIKPKSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C(C=1C=CC(=CC1)OC)(=O)OC\C=C\CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925674 |
