| SpectraBase Compound ID | 9qZDVhfPFr8 |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-13(17(18)19-2)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | NYJKRTRWIXNPDP-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LSRyeQjiO4g |
|---|---|
| Name | Methyl 2-(4-benzyloxyphenyl)propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-13(17(18)19-2)15-8-10-16(11-9-15)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | NYJKRTRWIXNPDP-UHFFFAOYSA-N |
| SMILES | C(C(C1=CC=C(OCC=2C=CC=CC2)C=C1)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938792 |