| SpectraBase Compound ID | J2eqUpEs7T3 |
|---|---|
| InChI | InChI=1S/C17H18BrNO/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,19,20) |
| InChIKey | CMRFUBZKCBYNRV-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 | BrBaAXXOtqR |
|---|---|
| Name | 3-Bromo-N-(4-phenylbutyl)benzamide |
| 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/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,19,20) |
| InChIKey | CMRFUBZKCBYNRV-UHFFFAOYSA-N |
| Molecular Weight | 332.241 g/mol |
| SMILES | N(C(C=1C=C(Br)C=CC1)=O)CCCCC1=CC=CC=C1 |