| SpectraBase Compound ID | C0Fm4Cq9gEb |
|---|---|
| InChI | InChI=1S/C12H21NO2/c1-5-7-9-15-12(14)13(8-6-2)10-11(3)4/h1,11H,6-10H2,2-4H3 |
| InChIKey | CLQRYCRYTNESMO-UHFFFAOYSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ko1keVZ3D2V |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-isobutyl-, but-3-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C12H21NO2/c1-5-7-9-15-12(14)13(8-6-2)10-11(3)4/h1,11H,6-10H2,2-4H3 |
| InChIKey | CLQRYCRYTNESMO-UHFFFAOYSA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | C(=O)(OCCC#C)N(CCC)CC(C)C |