![5-Methyl-2-[(p-propylphenyl)carbamoyl]cyclohexanecarboxylic acid](/api/spectrum/IMf2AAiEvUy/structure.png?h=300&w=458 "5-Methyl-2-[(p-propylphenyl)carbamoyl]cyclohexanecarboxylic acid")
| SpectraBase Compound ID | 2DjhuuV1W0d |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-3-4-13-6-8-14(9-7-13)19-17(20)15-10-5-12(2)11-16(15)18(21)22/h6-9,12,15-16H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,22) |
| InChIKey | DPQTWTFZIAUKJD-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMf2AAiEvUy |
|---|---|
| Name | 5-Methyl-2-[(p-propylphenyl)carbamoyl]cyclohexanecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-3-4-13-6-8-14(9-7-13)19-17(20)15-10-5-12(2)11-16(15)18(21)22/h6-9,12,15-16H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,22) |
| InChIKey | DPQTWTFZIAUKJD-UHFFFAOYSA-N |
| SMILES | N(C=1C=CC(=CC1)CCC)C(C1CCC(CC1C(=O)O)C)=O |