| SpectraBase Compound ID | BUhckssSX6n |
|---|---|
| InChI | InChI=1S/C12H7BrO3S/c13-8-6-9(17-11(8)12(15)16)10(14)7-4-2-1-3-5-7/h1-6H,(H,15,16) |
| InChIKey | ZSUMRYOKKCHEIM-UHFFFAOYSA-N |
| Mol Weight | 311.15 g/mol |
| Molecular Formula | C12H7BrO3S |
| Exact Mass | 309.929928 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NYC7OhsG8 |
|---|---|
| Name | 5-Benzoyl-4-bromoythiophene-2-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7BrO3S |
| InChI | InChI=1S/C12H7BrO3S/c13-8-6-9(17-11(8)12(15)16)10(14)7-4-2-1-3-5-7/h1-6H,(H,15,16) |
| InChIKey | ZSUMRYOKKCHEIM-UHFFFAOYSA-N |
| Molecular Weight | 311.149 g/mol |
| SMILES | OC(c1sc(C(=O)c2ccccc2)cc1Br)=O |
| SPLASH | splash10-08fr-0948000000-81542f1d117df300700f |
| Source of Spectrum | J-65-4634-36 |
| Wiley ID | 1532862 |