| SpectraBase Compound ID | EZjNZjSjyKN |
|---|---|
| InChI | InChI=1S/C8H6O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChIKey | LSFYMYHEOPWITI-UHFFFAOYSA-N |
| Mol Weight | 166.13 g/mol |
| Molecular Formula | C8H6O4 |
| Exact Mass | 166.026609 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6BEn9dGK2dL |
|---|---|
| Name | 1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 3,6-DIOXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H6O4 |
| InChI | InChI=1S/C8H6O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChIKey | LSFYMYHEOPWITI-UHFFFAOYSA-N |
| Molecular Weight | 166.0264 |
| SMILES | C=1C(=O)C=C(C(OC)=O)C(=O)C1 |
| SPLASH | splash10-0udr-9600000000-cb5b586af6412d824cd3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |