| SpectraBase Compound ID | 4AsPJgpIN79 |
|---|---|
| InChI | InChI=1S/C17H18BrNO/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18/h4-5,7-12H,2-3,6H2,1H3,(H,19,20) |
| InChIKey | JNQYMFAEZNYEOT-UHFFFAOYSA-N |
| Mol Weight | 332.24 g/mol |
| Molecular Formula | C17H18BrNO |
| Exact Mass | 331.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GqFA5m0Uc |
|---|---|
| Name | Benzamide, 4-butyl-N-(2-bromophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.057177203 u |
| Formula | C17H18BrNO |
| InChI | InChI=1S/C17H18BrNO/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18/h4-5,7-12H,2-3,6H2,1H3,(H,19,20) |
| InChIKey | JNQYMFAEZNYEOT-UHFFFAOYSA-N |
| Molecular Weight | 332.241 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(=O)NC1=CC=CC=C1Br |