| SpectraBase Compound ID | C5R5BGGn3e4 |
|---|---|
| InChI | InChI=1S/C16H29NO2/c1-4-7-9-10-11-12-14-17(13-6-3)16(18)19-15-8-5-2/h4,6-7,9-15H2,1-3H3 |
| InChIKey | RNCPMPUUPJNJBC-UHFFFAOYSA-N |
| Mol Weight | 267.41 g/mol |
| Molecular Formula | C16H29NO2 |
| Exact Mass | 267.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1F5ChhUK9v8 |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-octyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.219829176 u |
| Formula | C16H29NO2 |
| InChI | InChI=1S/C16H29NO2/c1-4-7-9-10-11-12-14-17(13-6-3)16(18)19-15-8-5-2/h4,6-7,9-15H2,1-3H3 |
| InChIKey | RNCPMPUUPJNJBC-UHFFFAOYSA-N |
| Molecular Weight | 267.413 g/mol |
| SMILES | C(=O)(OCC#CC)N(CCC)CCCCCCCC |