| SpectraBase Compound ID | 2qxWL9qQHd1 |
|---|---|
| InChI | InChI=1S/C19H17NO3/c1-19(2,14-13-15-9-5-3-6-10-15)23-18(22)20-17(21)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21,22) |
| InChIKey | DNQPWEBGYCLTML-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C19H17NO3 |
| Exact Mass | 307.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Z6tF81CEBl |
|---|---|
| Name | 2-Methyl-4-phenylbut-3-yn-2-yl benzoylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.120843408 u |
| Formula | C19H17NO3 |
| InChI | InChI=1S/C19H17NO3/c1-19(2,14-13-15-9-5-3-6-10-15)23-18(22)20-17(21)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21,22) |
| InChIKey | DNQPWEBGYCLTML-UHFFFAOYSA-N |
| Molecular Weight | 307.349 g/mol |
| SMILES | C(OC(C#CC1=CC=CC=C1)(C)C)(=O)NC(=O)C=1C=CC=CC1 |