| SpectraBase Compound ID | G8YPdJQmpgl |
|---|---|
| InChI | InChI=1S/C14H7Cl3O5/c1-3-6-11(19)7-5(2-4(18)9(16)12(7)20)22-14(6)10(17)13(21)8(3)15/h2,18,20-21H,1H3 |
| InChIKey | KIJCJDCUXMSIEZ-UHFFFAOYSA-N |
| Mol Weight | 361.56 g/mol |
| Molecular Formula | C14H7Cl3O5 |
| Exact Mass | 359.935906 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2SEtNKoSt1R |
|---|---|
| Name | 9H-Xanthen-9-one, 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl- |
| CAS Registry Number | 22972-79-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H7Cl3O5 |
| InChI | InChI=1S/C14H7Cl3O5/c1-3-6-11(19)7-5(2-4(18)9(16)12(7)20)22-14(6)10(17)13(21)8(3)15/h2,18,20-21H,1H3 |
| InChIKey | KIJCJDCUXMSIEZ-UHFFFAOYSA-N |
| Molecular Weight | 361.564 g/mol |
| SMILES | Oc1cc2Oc3c(C(c2c(c1Cl)O)=O)c(c(c(c3Cl)O)Cl)C |
| SPLASH | splash10-03di-0009000000-01d32ff18549161121ff |
| Source of Spectrum | B-43-1294-2 |
| Synonyms | Xanthen-9-one, 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl- 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one 2,5,7-Trichloro-1,3,6-trihydroxy-8-methyl-9H-xanthen-9-one 2,5,7-Trichloronorlichexanthone Isoarthothelin 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl-9-xanthenone 2,4,7-trichloro-3,6,8-trihydroxy-1-methylxanthen-9-one 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl-xanthen-9-one 2,4,7-tris(chloranyl)-1-methyl-3,6,8-tris(oxidanyl)xanthen-9-one |
| Wiley ID | 1347999 |