| SpectraBase Compound ID | B9MC9rhtQEV |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-8-6-10(3)11(7-9(8)2)14-12(15)4-5-13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17) |
| InChIKey | MQAKIODKLHAONP-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1blGGqkKNJ |
|---|---|
| Name | 4-oxo-4-(2,4,5-Trimethylanilino)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-8-6-10(3)11(7-9(8)2)14-12(15)4-5-13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17) |
| InChIKey | MQAKIODKLHAONP-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1(NC(=O)CCC(=O)O)=CC(=C(C)C=C1C)C |