| SpectraBase Spectrum ID |
K4cRHjbBeQz |
| Name |
Ethyl-3-hydroxy-2-(2-hydroxybenzoyl)but-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-3-18-13(17)11(8(2)14)12(16)9-6-4-5-7-10(9)15/h4-7,14-15H,3H2,1-2H3/b11-8+ |
| InChIKey |
HBKFKPLHADKFNK-DHZHZOJOSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C(\C(C(=O)OCC)=C\(O)C)(C1=C(O)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880756 |
