| SpectraBase Compound ID | 6ALxwW0EfLq |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-3-4-5-12(14)13-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | IGQIGROTAFMIKY-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 | 2zYf8w3DFHi |
|---|---|
| Name | p-Valerotoluidide |
| 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/c1-3-4-5-12(14)13-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | IGQIGROTAFMIKY-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | N(C1=CC=C(C=C1)C)C(=O)CCCC |