| SpectraBase Compound ID | Fve13B9qOT |
|---|---|
| InChI | InChI=1S/C17H17BrClNO2/c1-12-10-14(19)7-8-16(12)22-9-3-6-17(21)20-15-5-2-4-13(18)11-15/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21) |
| InChIKey | KBJXRWOTBVVRCM-UHFFFAOYSA-N |
| Mol Weight | 382.69 g/mol |
| Molecular Formula | C17H17BrClNO2 |
| Exact Mass | 381.013119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6DpFoWyC9NP |
|---|---|
| Name | N-(3-Bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.013119489 u |
| Formula | C17H17BrClNO2 |
| InChI | InChI=1S/C17H17BrClNO2/c1-12-10-14(19)7-8-16(12)22-9-3-6-17(21)20-15-5-2-4-13(18)11-15/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21) |
| InChIKey | KBJXRWOTBVVRCM-UHFFFAOYSA-N |
| Molecular Weight | 382.685 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)NC(=O)CCCOC1=C(C=C(C=C1)Cl)C |