| SpectraBase Compound ID | JV9oaqc2hO9 |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-3-4-5-6-10(8-11)7-9(2)12/h10H,3-7H2,1-2H3 |
| InChIKey | GFIKQPXEMDCECC-UHFFFAOYSA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gdOCPGi4iw |
|---|---|
| Name | 2-(2-Oxopropyl)heptanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.131014170 u |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-3-4-5-6-10(8-11)7-9(2)12/h10H,3-7H2,1-2H3 |
| InChIKey | GFIKQPXEMDCECC-UHFFFAOYSA-N |
| Molecular Weight | 167.252 g/mol |
| SMILES | C(C(CC(=O)C)CCCCC)#N |