| SpectraBase Compound ID | GU24QIdKHaw |
|---|---|
| InChI | InChI=1S/C16H14BrNO2/c1-20-16-5-3-2-4-14(16)18-11-10-15(19)12-6-8-13(17)9-7-12/h2-11,18H,1H3/b11-10- |
| InChIKey | PCLCFNLWYZLRDY-KHPPLWFESA-N |
| Mol Weight | 332.2 g/mol |
| Molecular Formula | C16H14BrNO2 |
| Exact Mass | 331.020792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABiDzDd8nYB |
|---|---|
| Name | (2Z)-1-(4-Bromophenyl)-3-(2-methoxyanilino)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.020791693 u |
| Formula | C16H14BrNO2 |
| InChI | InChI=1S/C16H14BrNO2/c1-20-16-5-3-2-4-14(16)18-11-10-15(19)12-6-8-13(17)9-7-12/h2-11,18H,1H3/b11-10- |
| InChIKey | PCLCFNLWYZLRDY-KHPPLWFESA-N |
| Molecular Weight | 332.197 g/mol |
| SMILES | C(\C=C/NC1=C(OC)C=CC=C1)(C1=CC=C(C=C1)Br)=O |