| SpectraBase Compound ID | 9SgjqsrO4fW |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-8(7-9(2)13(17)18)12(16)15-11-5-3-10(14)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | CKSSXJLEXGNURE-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZcW0B0M1SH |
|---|---|
| Name | 4'-Chloro-2,4-dimethylglutaranilic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-8(7-9(2)13(17)18)12(16)15-11-5-3-10(14)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | CKSSXJLEXGNURE-UHFFFAOYSA-N |
| Molecular Weight | 269.728 g/mol |
| SMILES | N(C1=CC=C(C=C1)Cl)C(C(CC(C(O)=O)C)C)=O |