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9H-Xanthene-2-carboxylic acid, 4,5,7-trichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-, phenylmethyl ester
SpectraBase Compound ID HJNZU48mmaG
InChI InChI=1S/C23H15Cl3O7/c1-9-11-17(27)12-18(28)13(23(30)32-8-10-6-4-3-5-7-10)19(29)15(25)21(12)33-20(11)16(26)22(31-2)14(9)24/h3-7,28-29H,8H2,1-2H3
InChIKey WPAZILOHWHJAIX-UHFFFAOYSA-N
Mol Weight 509.73 g/mol
Molecular Formula C23H15Cl3O7
Exact Mass 507.988336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwSauCuDnUP
Name 9H-Xanthene-2-carboxylic acid, 4,5,7-trichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-, phenylmethyl ester
CAS Registry Number 131524-59-9
Comments Less than 3 mono-isotopic peaks
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Formula C23H15Cl3O7
InChI InChI=1S/C23H15Cl3O7/c1-9-11-17(27)12-18(28)13(23(30)32-8-10-6-4-3-5-7-10)19(29)15(25)21(12)33-20(11)16(26)22(31-2)14(9)24/h3-7,28-29H,8H2,1-2H3
InChIKey WPAZILOHWHJAIX-UHFFFAOYSA-N
Molecular Weight 509.725 g/mol
SMILES Oc1c(c(c(c2c1C(c1c(O2)c(c(c(c1C)Cl)OC)Cl)=O)Cl)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-6dac5b2de8b07aef68c2
Source of Spectrum B-43-1757-26
Synonyms Benzyl 4,5,7-trichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-9H-xanthen-2-carboxylate benzyl 4,5,7-trichloro-1,3-dihydroxy-6-methoxy-8-methyl-9-oxo-9H-xanthene-2-carboxylate
Wiley ID 1400108