| SpectraBase Compound ID | 88hkbuF8BiB |
|---|---|
| InChI | InChI=1S/C18H32O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-13,16H2,1-4H3 |
| InChIKey | TWCYLXORKMQJIN-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C18H32O2 |
| Exact Mass | 280.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JB4J3MYGyVN |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.240230268 u |
| Formula | C18H32O2 |
| InChI | InChI=1S/C18H32O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-13,16H2,1-4H3 |
| InChIKey | TWCYLXORKMQJIN-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCC#CCCCCCCCCCC)(C)(C)C |