| SpectraBase Compound ID | 4eQx7jr0iEm |
|---|---|
| InChI | InChI=1S/C13H27NO2/c1-6-8-12(5)14(9-7-2)13(15)16-10-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey | SCPPRXUGCJIDPZ-UHFFFAOYSA-N |
| Mol Weight | 229.36 g/mol |
| Molecular Formula | C13H27NO2 |
| Exact Mass | 229.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqGLTBG7ePJ |
|---|---|
| Name | Carbonic acid, monoamide, N-(2-pentyl)-N-propyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.204179111 u |
| Formula | C13H27NO2 |
| InChI | InChI=1S/C13H27NO2/c1-6-8-12(5)14(9-7-2)13(15)16-10-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey | SCPPRXUGCJIDPZ-UHFFFAOYSA-N |
| Molecular Weight | 229.364 g/mol |
| SMILES | CCCC(C)N(C(OCC(C)C)=O)CCC |