| SpectraBase Compound ID | 6OlVgr9CV1J |
|---|---|
| InChI | InChI=1S/C10H9NO3/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5H,7-8H2 |
| InChIKey | AFSZODNZIHPOPL-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7rSTnrSqoh |
|---|---|
| Name | Phenoxyacetic acid, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5H,7-8H2 |
| InChIKey | AFSZODNZIHPOPL-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C=1C(=CC=CC1)OCC(OCC#N)=O |