| SpectraBase Compound ID | F0OMZzcCX72 |
|---|---|
| InChI | InChI=1S/C13H23NO2/c1-4-7-9-11-14(10-6-3)13(15)16-12-8-5-2/h4,6-7,9-12H2,1-3H3 |
| InChIKey | XVDBMTSPWKIBEL-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C13H23NO2 |
| Exact Mass | 225.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IepYPJ2R3ou |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-pentyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.172878983 u |
| Formula | C13H23NO2 |
| InChI | InChI=1S/C13H23NO2/c1-4-7-9-11-14(10-6-3)13(15)16-12-8-5-2/h4,6-7,9-12H2,1-3H3 |
| InChIKey | XVDBMTSPWKIBEL-UHFFFAOYSA-N |
| Molecular Weight | 225.332 g/mol |
| SMILES | C(=O)(OCC#CC)N(CCC)CCCCC |