| SpectraBase Compound ID | GMSuDJVoitw |
|---|---|
| InChI | InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | MMRQLDRBAXLMRH-LURJTMIESA-N |
| Mol Weight | 97.16 g/mol |
| Molecular Formula | C6H11N |
| Exact Mass | 97.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PWFudwFPbf |
|---|---|
| Name | (3S)-3-Methylpentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 97.089149358 u |
| Formula | C6H11N |
| InChI | InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3/t6-/m0/s1 |
| InChIKey | MMRQLDRBAXLMRH-LURJTMIESA-N |
| Molecular Weight | 97.161 g/mol |
| SMILES | C(#N)C[C@](CC)(C)[H] |