| SpectraBase Compound ID | 2qKliT4urLZ |
|---|---|
| InChI | InChI=1S/C15H13BrINO2/c1-10(20-12-8-6-11(17)7-9-12)15(19)18-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,18,19) |
| InChIKey | YWFDUTRKTGPBKH-UHFFFAOYSA-N |
| Mol Weight | 446.08 g/mol |
| Molecular Formula | C15H13BrINO2 |
| Exact Mass | 444.917437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xOrX0Gj5Ef |
|---|---|
| Name | N-(2-Bromophenyl)-2-(4-iodophenoxy)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.917436661 u |
| Formula | C15H13BrINO2 |
| InChI | InChI=1S/C15H13BrINO2/c1-10(20-12-8-6-11(17)7-9-12)15(19)18-14-5-3-2-4-13(14)16/h2-10H,1H3,(H,18,19) |
| InChIKey | YWFDUTRKTGPBKH-UHFFFAOYSA-N |
| Molecular Weight | 446.082 g/mol |
| SMILES | N(C(C(OC=1C=CC(=CC1)I)C)=O)C1=C(Br)C=CC=C1 |