| SpectraBase Compound ID | IQGfBLM9N9n |
|---|---|
| InChI | InChI=1S/C13H24/c1-4-7-9-10-12-13(6-3)11-8-5-2/h3,13H,4-5,7-12H2,1-2H3 |
| InChIKey | UQSHOFSWLVAAMW-UHFFFAOYSA-N |
| Mol Weight | 180.33 g/mol |
| Molecular Formula | C13H24 |
| Exact Mass | 180.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xl6XthB2W5 |
|---|---|
| Name | 3-Butylnon-1-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.187800773 u |
| Formula | C13H24 |
| InChI | InChI=1S/C13H24/c1-4-7-9-10-12-13(6-3)11-8-5-2/h3,13H,4-5,7-12H2,1-2H3 |
| InChIKey | UQSHOFSWLVAAMW-UHFFFAOYSA-N |
| Molecular Weight | 180.335 g/mol |
| SMILES | C#CC(CCCCCC)CCCC |