| SpectraBase Compound ID | DTuo8ijZMsA |
|---|---|
| InChI | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) |
| InChIKey | WDGFFVCWBZVLCE-UHFFFAOYSA-N |
| Mol Weight | 220.18 g/mol |
| Molecular Formula | C11H8O5 |
| Exact Mass | 220.037173 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FRzVsc9nSpr |
|---|---|
| Name | Purpurogallin |
| CAS Registry Number | 569-77-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H8O5 |
| InChI | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) |
| InChIKey | WDGFFVCWBZVLCE-UHFFFAOYSA-N |
| Molecular Weight | 220.180 g/mol |
| SMILES | OC=1C(c2c(cc(c(c2O)O)O)C=CC1)=O |
| SPLASH | splash10-00di-0590000000-3953775c4dc46fb641e0 |
| Source of Spectrum | NP-18-1570-0 |
| Synonyms | 2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one 5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy- 5H-Benzocycloheptene-5-one, 2,3,4,6-tetrahydroxy- 2,3,4,5-tetrahydroxy-6-benzo[7]annulenone 2,3,4,5-tetrahydroxybenzo[7]annulen-6-one 2,3,4,5-tetrakis(oxidanyl)benzo[7]annulen-6-one |
| Wiley ID | 1104733 |