| SpectraBase Compound ID | 5kpVDUew9UW |
|---|---|
| InChI | InChI=1S/C15H17NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h10-11,14H,12-13H2,1-3H3,(H,16,17)/b11-10+ |
| InChIKey | DDEHDGUBBJGQDA-ZHACJKMWSA-N |
| Mol Weight | 227.31 g/mol |
| Molecular Formula | C15H17NO |
| Exact Mass | 227.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJzS1Hy5gRj |
|---|---|
| Name | dec-2-en-4,6,8-Triynoic acid - isopentyl amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.131014170 u |
| Formula | C15H17NO |
| InChI | InChI=1S/C15H17NO/c1-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)3/h10-11,14H,12-13H2,1-3H3,(H,16,17)/b11-10+ |
| InChIKey | DDEHDGUBBJGQDA-ZHACJKMWSA-N |
| Molecular Weight | 227.307 g/mol |
| SMILES | C(#CC#CC)C#C\C=C\C(=O)NCCC(C)C |