| SpectraBase Compound ID | 5cyBFdgelWu |
|---|---|
| InChI | InChI=1S/C10H11NO2/c11-7-6-9(12)8-13-10-4-2-1-3-5-10/h1-5,9,12H,6,8H2 |
| InChIKey | KJJPPYGFSUFUAH-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9F87rxD4sDH |
|---|---|
| Name | Butanenitrile, 3-hydroxy-4-phenoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c11-7-6-9(12)8-13-10-4-2-1-3-5-10/h1-5,9,12H,6,8H2 |
| InChIKey | KJJPPYGFSUFUAH-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | OC(COC1=CC=CC=C1)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.825758 |