| SpectraBase Compound ID | 94UdPEuJ9FK |
|---|---|
| InChI | InChI=1S/C18H14Br2O3/c1-3-14-16(11-6-4-5-7-15(11)23-14)17(21)10-8-12(19)18(22-2)13(20)9-10/h4-9H,3H2,1-2H3 |
| InChIKey | BFNPMHRTUYWBIA-UHFFFAOYSA-N |
| Mol Weight | 438.12 g/mol |
| Molecular Formula | C18H14Br2O3 |
| Exact Mass | 435.93097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZLmGJaJ4mm |
|---|---|
| Name | Benzbromarone me |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.930970308 u |
| Formula | C18H14Br2O3 |
| InChI | InChI=1S/C18H14Br2O3/c1-3-14-16(11-6-4-5-7-15(11)23-14)17(21)10-8-12(19)18(22-2)13(20)9-10/h4-9H,3H2,1-2H3 |
| InChIKey | BFNPMHRTUYWBIA-UHFFFAOYSA-N |
| Molecular Weight | 438.115 g/mol |
| SMILES | C=1(C2=C(OC1CC)C=CC=C2)C(C1=CC(=C(C(=C1)Br)OC)Br)=O |