| SpectraBase Compound ID | fxT12HyT0N |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8,12H,2-3,7H2,1H3 |
| InChIKey | SFIAVHHACYJEBI-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81QbwzuIy3q |
|---|---|
| Name | 1,3-Benzenediol, o-valeryl- |
| 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/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8,12H,2-3,7H2,1H3 |
| InChIKey | SFIAVHHACYJEBI-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)CCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917272 |