![2-{4-bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide](/api/spectrum/6DTJAOsBWbJ/structure.png?h=300&w=458 "2-{4-bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide")
| SpectraBase Compound ID | BgrwHV9tiK8 |
|---|---|
| InChI | InChI=1S/C23H29BrN2O2/c24-20-11-12-22(19(15-20)16-26-21-9-5-2-6-10-21)28-17-23(27)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,21,26H,2,5-6,9-10,13-14,16-17H2,(H,25,27) |
| InChIKey | XQFCGVHIKSHETP-UHFFFAOYSA-N |
| Mol Weight | 445.4 g/mol |
| Molecular Formula | C23H29BrN2O2 |
| Exact Mass | 444.141241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DTJAOsBWbJ |
|---|---|
| Name | 2-{4-Bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.141241180 u |
| Formula | C23H29BrN2O2 |
| InChI | InChI=1S/C23H29BrN2O2/c24-20-11-12-22(19(15-20)16-26-21-9-5-2-6-10-21)28-17-23(27)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,21,26H,2,5-6,9-10,13-14,16-17H2,(H,25,27) |
| InChIKey | XQFCGVHIKSHETP-UHFFFAOYSA-N |
| Molecular Weight | 445.401 g/mol |
| SMILES | N(C(COC1=C(CNC2CCCCC2)C=C(C=C1)Br)=O)CCC1=CC=CC=C1 |