| SpectraBase Compound ID | 69k2H9uxUkj |
|---|---|
| InChI | InChI=1S/C12H20O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-8,10H2,1-2H3 |
| InChIKey | LKEKMTSMXVAWEO-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JleUYtvnl2L |
|---|---|
| Name | Dodec-5-yn-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-3-5-7-8-9-11-12(13)10-6-4-2/h3-8,10H2,1-2H3 |
| InChIKey | LKEKMTSMXVAWEO-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(C(=O)CCCC)#CCCCCC |