| SpectraBase Compound ID | Iz2GSv0ubfO |
|---|---|
| InChI | InChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H |
| InChIKey | FKQQKMGWCJGUCS-UHFFFAOYSA-N |
| Mol Weight | 324.29 g/mol |
| Molecular Formula | C18H12O6 |
| Exact Mass | 324.063388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPr5N9OTKgb |
|---|---|
| Name | Atromentin |
| CAS Registry Number | 519-67-5 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H12O6 |
| InChI | InChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H |
| InChIKey | FKQQKMGWCJGUCS-UHFFFAOYSA-N |
| Molecular Weight | 324.288 g/mol |
| SMILES | OC=1C(C(=C(C(C1c1ccc(cc1)O)=O)O)c1ccc(cc1)O)=O |
| SPLASH | splash10-05fs-9823000000-089a18a52668baa3eb15 |
| Source of Spectrum | S-27-3430-5 |
| Synonyms | 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzo-1,4-quinone 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)- 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione p-Benzoquinone,5-dihydroxy-3,6-bis(p-hydroxyphenyl)- p-Benzoquinone, 2,5-dihydroxy-3,6-bis(p-hydroxyphenyl)- 2,4-Dione, 2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)- p-Benzoquinone, 2,5-dihydroxy-3,6-bis(p-hydroxyphenyl)- (8CI) 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)-1,4-benzoquinone 2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione 2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)-p-benzoquinone NSC 187730 |
| Wiley ID | 48340 |