![4-[(Propan-2-yl)carbamoyl]benzoic acid](/api/spectrum/BNF0QTLOt3o/structure.png?h=300&w=458 "4-[(Propan-2-yl)carbamoyl]benzoic acid")
| SpectraBase Compound ID | ICXJFjCcxnz |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15) |
| InChIKey | PRCGIFCKPACTDG-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNF0QTLOt3o |
|---|---|
| Name | 4-[(Propan-2-yl)carbamoyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15) |
| InChIKey | PRCGIFCKPACTDG-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | C(NC(=O)C1=CC=C(C=C1)C(=O)O)(C)C |