| SpectraBase Compound ID | JZ09CTxN4yM |
|---|---|
| InChI | InChI=1S/C17H12BrNO4/c1-22-14-8-4-12(5-9-14)17-15(18)10-16(23-17)11-2-6-13(7-3-11)19(20)21/h2-10H,1H3 |
| InChIKey | VDUWYDJOQNGDLW-UHFFFAOYSA-N |
| Mol Weight | 374.19 g/mol |
| Molecular Formula | C17H12BrNO4 |
| Exact Mass | 372.994971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KU2h5fc3xUJ |
|---|---|
| Name | 3-Bromo-2-(4-methoxyphenyl)-5-(4-nitrophenyl)furan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.994970866 u |
| Formula | C17H12BrNO4 |
| InChI | InChI=1S/C17H12BrNO4/c1-22-14-8-4-12(5-9-14)17-15(18)10-16(23-17)11-2-6-13(7-3-11)19(20)21/h2-10H,1H3 |
| InChIKey | VDUWYDJOQNGDLW-UHFFFAOYSA-N |
| Molecular Weight | 374.190 g/mol |
| SMILES | C=1(OC(=CC1Br)C=1C=CC(=CC1)N(=O)=O)C=1C=CC(=CC1)OC |