| SpectraBase Compound ID | LQ2BDZseZtU |
|---|---|
| InChI | InChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h3-12,14H2,1-2H3 |
| InChIKey | DOXCHJDUDAMZFN-UHFFFAOYSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QIh8z6Fbpl |
|---|---|
| Name | Hexadec-7-yn-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-3-5-7-8-9-10-11-13-15-16(17)14-12-6-4-2/h3-12,14H2,1-2H3 |
| InChIKey | DOXCHJDUDAMZFN-UHFFFAOYSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C(#CCCCCCCCC)C(=O)CCCCC |