| SpectraBase Compound ID | LevmFoHtFZK |
|---|---|
| InChI | InChI=1S/C8H13NO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-5,7H2 |
| InChIKey | BQXASVKKJVHYGI-UHFFFAOYSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jTMLACSe0s |
|---|---|
| Name | 3-(2-Oxanyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c9-6-3-5-8-4-1-2-7-10-8/h8H,1-5,7H2 |
| InChIKey | BQXASVKKJVHYGI-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C(#N)CCC1OCCCC1 |