| SpectraBase Compound ID | 5RaIcovHAvN |
|---|---|
| InChI | InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h12-13H,3-7,9,11H2,1-2H3/b13-12+ |
| InChIKey | PHDAPKODRWQOBO-OUKQBFOZSA-N |
| Mol Weight | 178.32 g/mol |
| Molecular Formula | C13H22 |
| Exact Mass | 178.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pSnNjF3yd6 |
|---|---|
| Name | 6-Tridecen-4-yne, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.172150708 u |
| Formula | C13H22 |
| InChI | InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h12-13H,3-7,9,11H2,1-2H3/b13-12+ |
| InChIKey | PHDAPKODRWQOBO-OUKQBFOZSA-N |
| Molecular Weight | 178.319 g/mol |
| SMILES | C(\C=C\C#CCCC)CCCCC |