| SpectraBase Compound ID | CsyKM0eAcWW |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(18)15-16(2)3/h15H,4,7-14H2,1-3H3 |
| InChIKey | NRWZIRCGQUDQHM-UHFFFAOYSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26fMNlLeitq |
|---|---|
| Name | 3-Methyl-2-butenoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(18)15-16(2)3/h15H,4,7-14H2,1-3H3 |
| InChIKey | NRWZIRCGQUDQHM-UHFFFAOYSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(=O)C=C(C)C |