| SpectraBase Compound ID | 4Jtqsx3cLee |
|---|---|
| InChI | InChI=1S/C12H6BrF3O/c13-10-6-9(11(17)12(14,15)16)7-4-2-1-3-5-8(7)10/h1-6H |
| InChIKey | FLJKOBYGQRTJNH-UHFFFAOYSA-N |
| Mol Weight | 303.08 g/mol |
| Molecular Formula | C12H6BrF3O |
| Exact Mass | 301.955412 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AXf8kEEqICu |
|---|---|
| Name | 1-BROMO-3-(2,2,2-TRIFLUOROACETYL)AZULENE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H6BrF3O |
| InChI | InChI=1S/C12H6BrF3O/c13-10-6-9(11(17)12(14,15)16)7-4-2-1-3-5-8(7)10/h1-6H |
| InChIKey | FLJKOBYGQRTJNH-UHFFFAOYSA-N |
| Molecular Weight | 301.9552 |
| SMILES | c1cc2c(Br)cc(C(C(F)(F)F)=O)c2ccc1 |
| SPLASH | splash10-01t9-9420000000-ac6e26a2c73fada5cd20 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |