| SpectraBase Compound ID | 9JD8YeSPzvp |
|---|---|
| InChI | InChI=1S/C16H21BrN2O2/c1-11(2)19-10-4-3-5-14(16(19)21)18-15(20)12-6-8-13(17)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,20) |
| InChIKey | QOOPGRZGFRPRAM-UHFFFAOYSA-N |
| Mol Weight | 353.26 g/mol |
| Molecular Formula | C16H21BrN2O2 |
| Exact Mass | 352.078641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G215izbNocm |
|---|---|
| Name | 4-Bromo-N-(1-isopropyl-2-oxoazepan-3-yl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.078640922 u |
| Formula | C16H21BrN2O2 |
| InChI | InChI=1S/C16H21BrN2O2/c1-11(2)19-10-4-3-5-14(16(19)21)18-15(20)12-6-8-13(17)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,20) |
| InChIKey | QOOPGRZGFRPRAM-UHFFFAOYSA-N |
| Molecular Weight | 353.260 g/mol |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)NC1C(N(CCCC1)C(C)C)=O |