| SpectraBase Compound ID | AKHGInoI0sM |
|---|---|
| InChI | InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14) |
| InChIKey | BJPQRVCCAISNSI-UHFFFAOYSA-N |
| Mol Weight | 254.13 g/mol |
| Molecular Formula | C11H12BrNO |
| Exact Mass | 253.010227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25EZLxDVeYz |
|---|---|
| Name | 2-Butenamide, N-(4-bromophenyl)-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.010227009 u |
| Formula | C11H12BrNO |
| InChI | InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14) |
| InChIKey | BJPQRVCCAISNSI-UHFFFAOYSA-N |
| Molecular Weight | 254.127 g/mol |
| SMILES | CC(C)=CC(NC=1C=CC(=CC1)Br)=O |