| SpectraBase Compound ID | LXlOSE99FNU |
|---|---|
| InChI | InChI=1S/C15H18ClNO3/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | GAYGDDGJUCZGBU-UHFFFAOYSA-N |
| Mol Weight | 295.77 g/mol |
| Molecular Formula | C15H18ClNO3 |
| Exact Mass | 295.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKat4Sk1Dsv |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-(5-chloro-2-methylphenylaminocarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.097521141 u |
| Formula | C15H18ClNO3 |
| InChI | InChI=1S/C15H18ClNO3/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20) |
| InChIKey | GAYGDDGJUCZGBU-UHFFFAOYSA-N |
| SMILES | C(NC1=CC(Cl)=CC=C1C)(C1C(C(=O)O)CCCC1)=O |