| SpectraBase Compound ID | 3FzXzKFjWcx |
|---|---|
| InChI | InChI=1S/C17H30O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-16(18)17(2,3)4/h5,8-15H2,1-4H3 |
| InChIKey | VQANUXKUGPCXIC-UHFFFAOYSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C17H30O2 |
| Exact Mass | 266.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2yy6eyLIwY |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.224580204 u |
| Formula | C17H30O2 |
| InChI | InChI=1S/C17H30O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-16(18)17(2,3)4/h5,8-15H2,1-4H3 |
| InChIKey | VQANUXKUGPCXIC-UHFFFAOYSA-N |
| Molecular Weight | 266.425 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(C(C)(C)C)=O |