| SpectraBase Compound ID | CedcrqcMSx7 |
|---|---|
| InChI | InChI=1S/C20H37NO2/c1-4-7-9-10-11-12-13-14-15-16-18-21(17-6-3)20(22)23-19-8-5-2/h4,6-7,9-19H2,1-3H3 |
| InChIKey | YNGMKZLHYROWKS-UHFFFAOYSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C20H37NO2 |
| Exact Mass | 323.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MKMcTCyGca |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-dodecyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.282429433 u |
| Formula | C20H37NO2 |
| InChI | InChI=1S/C20H37NO2/c1-4-7-9-10-11-12-13-14-15-16-18-21(17-6-3)20(22)23-19-8-5-2/h4,6-7,9-19H2,1-3H3 |
| InChIKey | YNGMKZLHYROWKS-UHFFFAOYSA-N |
| Molecular Weight | 323.521 g/mol |
| SMILES | C(=O)(OCC#CC)N(CCC)CCCCCCCCCCCC |