| SpectraBase Compound ID | EBG3CNWujNb |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5H,7H2,1-2H3 |
| InChIKey | MFUWFCZVQNSMEP-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLXgW1g2igs |
|---|---|
| Name | Acetonitrile, (2,6-dimethylphenoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5H,7H2,1-2H3 |
| InChIKey | MFUWFCZVQNSMEP-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1(=C(C=CC=C1C)C)OCC#N |