| SpectraBase Compound ID | BpNGPYr10zu |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-2-3-9-13-10-12(14)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3 |
| InChIKey | MZMSBOSSHOJUIJ-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 | 1laPUs0Vy87 |
|---|---|
| Name | 2-Butylamino-1-phenylethanone |
| 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/c1-2-3-9-13-10-12(14)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3 |
| InChIKey | MZMSBOSSHOJUIJ-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C=1(C(CNCCCC)=O)C=CC=CC1 |