| SpectraBase Compound ID | 7C7HYJHIqMh |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14) |
| InChIKey | NXDWJMPJVGIQBB-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gVKEJvNlWY |
|---|---|
| Name | Benzamide, 3-methyl-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-3-4-8-13-12(14)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,13,14) |
| InChIKey | NXDWJMPJVGIQBB-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C(NCCCC)(=O)C=1C=CC=C(C)C1 |