| SpectraBase Compound ID | D8wDJk4gQXO |
|---|---|
| InChI | InChI=1S/C15H20ClNO2/c1-10-5-3-4-6-14(10)19-15(18)17-13-8-7-12(16)9-11(13)2/h7-10,14H,3-6H2,1-2H3,(H,17,18) |
| InChIKey | TWQFGOTXWMJUGY-UHFFFAOYSA-N |
| Mol Weight | 281.78 g/mol |
| Molecular Formula | C15H20ClNO2 |
| Exact Mass | 281.118257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DTk0mS6j8J |
|---|---|
| Name | 4-Chloro-2-methylcarbanilic acid, 2-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.118256586 u |
| Formula | C15H20ClNO2 |
| InChI | InChI=1S/C15H20ClNO2/c1-10-5-3-4-6-14(10)19-15(18)17-13-8-7-12(16)9-11(13)2/h7-10,14H,3-6H2,1-2H3,(H,17,18) |
| InChIKey | TWQFGOTXWMJUGY-UHFFFAOYSA-N |
| Molecular Weight | 281.783 g/mol |
| SMILES | N(C=1C=CC(=CC1C)Cl)C(OC1C(CCCC1)C)=O |