| SpectraBase Compound ID | 1a3GPpzFxCR |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-3-4-10-16-13(15)14(2)11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-2H3 |
| InChIKey | BMDTXXUKFLXYJE-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hzELWyqpVf |
|---|---|
| Name | Carbonic acid, monoamide, N-benzyl-N-methyl-, but-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-3-4-10-16-13(15)14(2)11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-2H3 |
| InChIKey | BMDTXXUKFLXYJE-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C(OC(=O)N(C)CC1=CC=CC=C1)C#CC |