![N-[2-(3-Bromophenyl)ethyl]-2-methylbenzamide](/api/spectrum/ItEII7NZevj/structure.png?h=300&w=458 "N-[2-(3-Bromophenyl)ethyl]-2-methylbenzamide")
| SpectraBase Compound ID | BU2768prbdG |
|---|---|
| InChI | InChI=1S/C16H16BrNO/c1-12-5-2-3-8-15(12)16(19)18-10-9-13-6-4-7-14(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19) |
| InChIKey | YQMOVUOVFOEJAD-UHFFFAOYSA-N |
| Mol Weight | 318.21 g/mol |
| Molecular Formula | C16H16BrNO |
| Exact Mass | 317.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItEII7NZevj |
|---|---|
| Name | N-[2-(3-Bromophenyl)ethyl]-2-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.041527138 u |
| Formula | C16H16BrNO |
| InChI | InChI=1S/C16H16BrNO/c1-12-5-2-3-8-15(12)16(19)18-10-9-13-6-4-7-14(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19) |
| InChIKey | YQMOVUOVFOEJAD-UHFFFAOYSA-N |
| Molecular Weight | 318.214 g/mol |
| SMILES | C1(C(NCCC=2C=C(C=CC2)Br)=O)=C(C=CC=C1)C |