| SpectraBase Compound ID | JZGFaIMpkW9 |
|---|---|
| InChI | InChI=1S/C18H28BrNO/c1-5-7-8-11-15(4)20(14(3)6-2)18(21)16-12-9-10-13-17(16)19/h9-10,12-15H,5-8,11H2,1-4H3 |
| InChIKey | VMWITNPFEYEYGG-UHFFFAOYSA-N |
| Mol Weight | 354.33 g/mol |
| Molecular Formula | C18H28BrNO |
| Exact Mass | 353.135428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AZWEDwTTty |
|---|---|
| Name | Benzamide, 2-bromo-N-(2-butyl)-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.135427525 u |
| Formula | C18H28BrNO |
| InChI | InChI=1S/C18H28BrNO/c1-5-7-8-11-15(4)20(14(3)6-2)18(21)16-12-9-10-13-17(16)19/h9-10,12-15H,5-8,11H2,1-4H3 |
| InChIKey | VMWITNPFEYEYGG-UHFFFAOYSA-N |
| Molecular Weight | 354.332 g/mol |
| SMILES | C(=O)(N(C(CCCCC)C)C(CC)C)C=1C(Br)=CC=CC1 |