| SpectraBase Compound ID | 2ZDL1qgYItq |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | TWDMVZSYTMJVEK-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IwMYaS9ctxT |
|---|---|
| Name | alpha-(2-Hydroxyethyl)cinnamic acid, gamma-lactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | TWDMVZSYTMJVEK-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C=1C(=CC=CC1)C=C1CCOC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.860062 |