| SpectraBase Compound ID | DiwUO0JXCnH |
|---|---|
| InChI | InChI=1S/C18H28BrNO/c1-4-6-7-10-14-20(15(3)11-5-2)18(21)16-12-8-9-13-17(16)19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | KVXYAWQREPJDMF-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 | 9xsvfruMaSI |
|---|---|
| Name | Benzamide, 2-bromo-N-(2-pentyl)-N-hexyl- |
| 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/c1-4-6-7-10-14-20(15(3)11-5-2)18(21)16-12-8-9-13-17(16)19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | KVXYAWQREPJDMF-UHFFFAOYSA-N |
| Molecular Weight | 354.332 g/mol |
| SMILES | C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCC |