| SpectraBase Compound ID | LmtOZSZtGAP |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7,11H,1,6H2 |
| InChIKey | XIDRVYBJEHWUDA-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQr4RbhZHU3 |
|---|---|
| Name | Allyl 3-hydroxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7,11H,1,6H2 |
| InChIKey | XIDRVYBJEHWUDA-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=CC(=CC(C(OCC=C)=O)=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954933 |