| SpectraBase Compound ID | 1jyWhD8Jxf7 |
|---|---|
| InChI | InChI=1S/C11H14O3/c12-11(13)8-4-5-9-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) |
| InChIKey | YYEBMOCMHWICRI-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EQggESj0VsK |
|---|---|
| Name | Pentanoic acid, 5-phenoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c12-11(13)8-4-5-9-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) |
| InChIKey | YYEBMOCMHWICRI-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | OC(CCCCOC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.729386 |