| SpectraBase Compound ID | E5zcBUtHa3t |
|---|---|
| InChI | InChI=1S/C14H12O7/c1-19-9-5-8(16)11-10(12(9)17)7(15)4-6(13(11)20-2)14(18)21-3/h4-5,15H,1-3H3 |
| InChIKey | IQNNCIUGIWEXCC-UHFFFAOYSA-N |
| Mol Weight | 292.24 g/mol |
| Molecular Formula | C14H12O7 |
| Exact Mass | 292.058303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3IeD7ETlVSm |
|---|---|
| Name | Yerrinquinone |
| Alternate Name(s) | 4-Hydroxy-1,6-dimethoxy-5,8-dioxo-2-naphthalenecarboxylic acid methyl ester 4-Hydroxy-5,8-diketo-1,6-dimethoxy-naphthalene-2-carboxylic acid methyl ester Methyl 1,6-dimethoxy-4-oxidanyl-5,8-bis(oxidanylidene)naphthalene-2-carboxylate Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-5,8-dihydro-2-naphthalenecarboxylate Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-naphthalene-2-carboxylate |
| CAS Registry Number | 129308-67-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H12O7 |
| InChI | InChI=1S/C14H12O7/c1-19-9-5-8(16)11-10(12(9)17)7(15)4-6(13(11)20-2)14(18)21-3/h4-5,15H,1-3H3 |
| InChIKey | IQNNCIUGIWEXCC-UHFFFAOYSA-N |
| Molecular Weight | 292.243 g/mol |
| SMILES | Oc1cc(c(c2c1C(C(=CC2=O)OC)=O)OC)C(=O)OC |
| SPLASH | splash10-0002-6390000000-aa84116e5925aaeb7cfb |
| Source of Spectrum | O-26-34-1 |
| Wiley ID | 1295112 |