| SpectraBase Compound ID | 499YzRy68rQ |
|---|---|
| InChI | InChI=1S/C12H21NO2/c1-3-5-7-8-9-10-13-12(14)15-11-6-4-2/h3,5,7-11H2,1-2H3,(H,13,14) |
| InChIKey | YVOXBNQUKAAKSH-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 | 4IQR6h9Tgik |
|---|---|
| Name | Carbonic acid, monoamide, N-heptyl-, but-2-ynyl 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/c1-3-5-7-8-9-10-13-12(14)15-11-6-4-2/h3,5,7-11H2,1-2H3,(H,13,14) |
| InChIKey | YVOXBNQUKAAKSH-UHFFFAOYSA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | C(CCNC(OCC#CC)=O)CCCC |