| SpectraBase Compound ID | 9IxUXhRScQW |
|---|---|
| InChI | InChI=1S/C17H31NO2/c1-4-7-9-10-11-12-13-15-18(14-6-3)17(19)20-16-8-5-2/h4,6-7,9-16H2,1-3H3 |
| InChIKey | CRJSPVDDCNLJER-UHFFFAOYSA-N |
| Mol Weight | 281.44 g/mol |
| Molecular Formula | C17H31NO2 |
| Exact Mass | 281.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HDRGwefT5s |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-nonyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.235479240 u |
| Formula | C17H31NO2 |
| InChI | InChI=1S/C17H31NO2/c1-4-7-9-10-11-12-13-15-18(14-6-3)17(19)20-16-8-5-2/h4,6-7,9-16H2,1-3H3 |
| InChIKey | CRJSPVDDCNLJER-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC#CC)N(CCC)CCCCCCCCC |