| SpectraBase Compound ID | 2zQFWxSPfFR |
|---|---|
| InChI | InChI=1S/C20H32N2O3/c1-4-6-13-22(14-7-5-2)15-8-16-25-20(24)18-9-11-19(12-10-18)21-17(3)23/h9-12H,4-8,13-16H2,1-3H3,(H,21,23) |
| InChIKey | WVBJOCXXGCRGNI-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C20H32N2O3 |
| Exact Mass | 348.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CxX2jJgtER |
|---|---|
| Name | Butacaine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.241292895 u |
| Formula | C20H32N2O3 |
| InChI | InChI=1S/C20H32N2O3/c1-4-6-13-22(14-7-5-2)15-8-16-25-20(24)18-9-11-19(12-10-18)21-17(3)23/h9-12H,4-8,13-16H2,1-3H3,(H,21,23) |
| InChIKey | WVBJOCXXGCRGNI-UHFFFAOYSA-N |
| Molecular Weight | 348.487 g/mol |
| SMILES | C1=C(C=CC(=C1)NC(=O)C)C(OCCCN(CCCC)CCCC)=O |