| SpectraBase Compound ID | 9GGtyubx2DN |
|---|---|
| InChI | InChI=1S/C10H10ClNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2 |
| InChIKey | LCRZUPUZVGGZJD-UHFFFAOYSA-N |
| Mol Weight | 211.65 g/mol |
| Molecular Formula | C10H10ClNO2 |
| Exact Mass | 211.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErwOQL6xTy8 |
|---|---|
| Name | Butanenitrile, 4-(4-chlorophenoxy)-3-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.040006264 u |
| Formula | C10H10ClNO2 |
| InChI | InChI=1S/C10H10ClNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2 |
| InChIKey | LCRZUPUZVGGZJD-UHFFFAOYSA-N |
| Molecular Weight | 211.648 g/mol |
| SMILES | C(COC=1C=CC(=CC1)Cl)(CC#N)O |