| SpectraBase Compound ID | 827dGmHjECb |
|---|---|
| InChI | InChI=1S/C13H9Br2NO3/c1-8-6-11(14)13(12(15)7-8)19-10-4-2-9(3-5-10)16(17)18/h2-7H,1H3 |
| InChIKey | PMJXQYFEDLBHLT-UHFFFAOYSA-N |
| Mol Weight | 387.03 g/mol |
| Molecular Formula | C13H9Br2NO3 |
| Exact Mass | 384.894919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8imB6cG36Px |
|---|---|
| Name | Benzene, 1,3-dibromo-5-methyl-2-(4-nitrophenoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.894919151 u |
| Formula | C13H9Br2NO3 |
| InChI | InChI=1S/C13H9Br2NO3/c1-8-6-11(14)13(12(15)7-8)19-10-4-2-9(3-5-10)16(17)18/h2-7H,1H3 |
| InChIKey | PMJXQYFEDLBHLT-UHFFFAOYSA-N |
| Molecular Weight | 387.027 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(OC=2C(=CC(=CC2Br)C)Br)=CC1 |