| SpectraBase Compound ID | VisTPEeQ17 |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-14(2,3)11(16)8-12(17)15-10-6-4-9(5-7-10)13(18)19/h4-7H,8H2,1-3H3,(H,15,17)(H,18,19) |
| InChIKey | FNAAEKFLHAFUBR-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PmcX2uUXvN |
|---|---|
| Name | p-(4,4-Dimethyl-3-oxovaleramido)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-14(2,3)11(16)8-12(17)15-10-6-4-9(5-7-10)13(18)19/h4-7H,8H2,1-3H3,(H,15,17)(H,18,19) |
| InChIKey | FNAAEKFLHAFUBR-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | OC(C1=CC=C(C=C1)NC(CC(C(C)(C)C)=O)=O)=O |