| SpectraBase Spectrum ID |
CYd8EDKleJI |
| Name |
(E)-2-Asaryl-4-hydroxy-but-2-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-16-11-7-13(18-3)12(17-2)6-10(11)9(8-15)4-5-14/h4,6-8,14H,5H2,1-3H3/b9-4- |
| InChIKey |
VNJZIMNPESHAEJ-WTKPLQERSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)OC)OC)\C(=C/CO)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908233 |
