| SpectraBase Compound ID | IMZw9mnQ8Ds |
|---|---|
| InChI | InChI=1S/C9H17N/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1H3 |
| InChIKey | MVZJLQOWSLMSLQ-UHFFFAOYSA-N |
| Mol Weight | 139.24 g/mol |
| Molecular Formula | C9H17N |
| Exact Mass | 139.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgXdhVZVck2 |
|---|---|
| Name | 1-Isocyanooctane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.136099551 u |
| Formula | C9H17N |
| InChI | InChI=1S/C9H17N/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1H3 |
| InChIKey | MVZJLQOWSLMSLQ-UHFFFAOYSA-N |
| Molecular Weight | 139.242 g/mol |
| SMILES | C(CCCCCCC)[N+]#[C-] |