| SpectraBase Compound ID | DP3URa06C36 |
|---|---|
| InChI | InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | RDRDBYYUPACJJT-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LZ181kcTKga |
|---|---|
| Name | Benzyl 3-hydroxypropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | RDRDBYYUPACJJT-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=CC=C(C=C1)COC(CCO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929005 |