| SpectraBase Compound ID | IkfHdD4qUKO |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-4-11-7-5-6-8-12(11)14-13(15)9-10(2)3/h5-9H,4H2,1-3H3,(H,14,15) |
| InChIKey | WVPMPVDSVJDKDF-UHFFFAOYSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwoYeXQLbPQ |
|---|---|
| Name | but-2-Enoic acid, amide, 3-methyl-N-(2-ethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.131014170 u |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c1-4-11-7-5-6-8-12(11)14-13(15)9-10(2)3/h5-9H,4H2,1-3H3,(H,14,15) |
| InChIKey | WVPMPVDSVJDKDF-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C(=C(C)C)C(=O)NC=1C(CC)=CC=CC1 |