![N-{1-[(4-bromo-3-methylanilino)carbonyl]-3-methylbutyl}-4-methylcyclohexanecarboxamide](/api/spectrum/5ykrzOCN3mS/structure.png?h=300&w=458 "N-{1-[(4-bromo-3-methylanilino)carbonyl]-3-methylbutyl}-4-methylcyclohexanecarboxamide")
| SpectraBase Compound ID | 2GyiVeuCXEZ |
|---|---|
| InChI | InChI=1S/C21H31BrN2O2/c1-13(2)11-19(24-20(25)16-7-5-14(3)6-8-16)21(26)23-17-9-10-18(22)15(4)12-17/h9-10,12-14,16,19H,5-8,11H2,1-4H3,(H,23,26)(H,24,25) |
| InChIKey | OBRXYRBVNGMLFJ-UHFFFAOYSA-N |
| Mol Weight | 423.4 g/mol |
| Molecular Formula | C21H31BrN2O2 |
| Exact Mass | 422.156891 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5ykrzOCN3mS |
|---|---|
| Name | N-{1-[(4-bromo-3-methylanilino)carbonyl]-3-methylbutyl}-4-methylcyclohexanecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.156891244 u |
| Formula | C21H31BrN2O2 |
| InChI | InChI=1S/C21H31BrN2O2/c1-13(2)11-19(24-20(25)16-7-5-14(3)6-8-16)21(26)23-17-9-10-18(22)15(4)12-17/h9-10,12-14,16,19H,5-8,11H2,1-4H3,(H,23,26)(H,24,25) |
| InChIKey | OBRXYRBVNGMLFJ-UHFFFAOYSA-N |
| Molecular Weight | 423.395 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4462 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12309398 |