| SpectraBase Compound ID | HH2edgff3Kv |
|---|---|
| InChI | InChI=1S/C16H12BrNO3/c17-11-7-5-10(6-8-11)14(19)9-16(21)12-3-1-2-4-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20) |
| InChIKey | HBYRTPWYVCHCLR-UHFFFAOYSA-N |
| Mol Weight | 346.18 g/mol |
| Molecular Formula | C16H12BrNO3 |
| Exact Mass | 345.000056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1o0jCmDioh6 |
|---|---|
| Name | 3-(4-Bromophenacyl)-3-hydroxy-2-indolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.000056247 u |
| Formula | C16H12BrNO3 |
| InChI | InChI=1S/C16H12BrNO3/c17-11-7-5-10(6-8-11)14(19)9-16(21)12-3-1-2-4-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20) |
| InChIKey | HBYRTPWYVCHCLR-UHFFFAOYSA-N |
| Molecular Weight | 346.180 g/mol |
| SMILES | C12=C(NC(C2(CC(=O)C=2C=CC(=CC2)Br)O)=O)C=CC=C1 |