| SpectraBase Compound ID | 5UheTL1cA7a |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3,5,7-15H2,1-2H3 |
| InChIKey | OPSWHJLDLSKMQZ-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1evtDcmzcYV |
|---|---|
| Name | Carbonic acid, but-2-yn-1-yl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3,5,7-15H2,1-2H3 |
| InChIKey | OPSWHJLDLSKMQZ-UHFFFAOYSA-N |
| SMILES | C(CCOC(OCC#CC)=O)CCCCCCCC |