| SpectraBase Compound ID | 8iNuEK64FTp |
|---|---|
| InChI | InChI=1S/C7H5BrO2/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H,9,10) |
| InChIKey | ZWZVMMDEDBKUEC-UHFFFAOYSA-N |
| Mol Weight | 201.02 g/mol |
| Molecular Formula | C7H5BrO2 |
| Exact Mass | 199.947292 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvApkwhqIac |
|---|---|
| Name | 3-Bromotropolone |
| Alternate Name(s) | 3-Bromo-2-hydroxy-2,4,6-cycloheptatrien-1-one 2,6-Cycloheptatrien-1-one, 3-bromo-2-hydroxy- 3-Bromo-2-hydroxycyclohepta-2,4,6-trien-1-one 3-Bromo-2-hydroxy-1-cyclohepta-2,4,6-trienone 3-Bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one 3-Bromanyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one |
| CAS Registry Number | 4584-68-3 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H5BrO2 |
| InChI | InChI=1S/C7H5BrO2/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H,9,10) |
| InChIKey | ZWZVMMDEDBKUEC-UHFFFAOYSA-N |
| Molecular Weight | 201.019 g/mol |
| SMILES | OC1=C(Br)C=CC=CC1=O |
| SPLASH | splash10-0wt9-9320000000-9888371e3fe965097566 |
| Source of Spectrum | DC-0-18-8 |
| Wiley ID | 23291 |