| SpectraBase Compound ID | 37aUujS75cT |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-2-6-17(18)20-16-11-9-15(10-12-16)19-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3 |
| InChIKey | ZOEUZNCAWXZTMB-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 | GPZXNLayoox |
|---|---|
| Name | Butyric acid, 4-benzyloxyphenyl ester |
| 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/c1-2-6-17(18)20-16-11-9-15(10-12-16)19-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3 |
| InChIKey | ZOEUZNCAWXZTMB-UHFFFAOYSA-N |
| SMILES | CCCC(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910564 |