| SpectraBase Compound ID | AFELDtYWnnc |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-3H,4H2,1H3 |
| InChIKey | PIQUSHQGTPCKSF-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8gis9PqqxDS |
|---|---|
| Name | Methyl 2-chloro-5-oxocyclohexa-1,3-diene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-3H,4H2,1H3 |
| InChIKey | PIQUSHQGTPCKSF-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1(=C(C=CC(C1)=O)Cl)C(=O)OC |
| SPLASH | splash10-000i-0900000000-46fcea9e39043547e97a |
| Source of Spectrum | F4-43-1015-4 |
| Wiley ID | 1713395 |