| SpectraBase Compound ID | CTob66fYH3l |
|---|---|
| InChI | InChI=1S/C12H8O3/c13-11-6-5-8-3-1-2-4-9(8)7-10(11)12(14)15/h1-7H,(H,14,15) |
| InChIKey | PEWJUZRAGPYODJ-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C12H8O3 |
| Exact Mass | 200.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kb9vBAKeFch |
|---|---|
| Name | 7-OXO-7H-BENZOCYCLOHEPTENE-6-CARBOXYLIC ACID |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H8O3 |
| InChI | InChI=1S/C12H8O3/c13-11-6-5-8-3-1-2-4-9(8)7-10(11)12(14)15/h1-7H,(H,14,15) |
| InChIKey | PEWJUZRAGPYODJ-UHFFFAOYSA-N |
| Molecular Weight | 200.0471 |
| SMILES | OC(=O)C1=Cc2c(C=CC1=O)cccc2 |
| SPLASH | splash10-056r-4900000000-997229e4e27b20721988 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |