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9H-Xanthen-9-one, 1,8-bis(acetyloxy)-2-chloro-5-methoxy-6-methyl-
SpectraBase Compound ID CBfXABYpoM4
InChI InChI=1S/C19H15ClO7/c1-8-7-13(25-9(2)21)15-16(23)14-12(27-19(15)17(8)24-4)6-5-11(20)18(14)26-10(3)22/h5-7H,1-4H3
InChIKey KTSCCCXIRBARKW-UHFFFAOYSA-N
Mol Weight 390.78 g/mol
Molecular Formula C19H15ClO7
Exact Mass 390.050631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aLzw4pFPQU
Name 9H-Xanthen-9-one, 1,8-bis(acetyloxy)-2-chloro-5-methoxy-6-methyl-
CAS Registry Number 113734-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClO7
InChI InChI=1S/C19H15ClO7/c1-8-7-13(25-9(2)21)15-16(23)14-12(27-19(15)17(8)24-4)6-5-11(20)18(14)26-10(3)22/h5-7H,1-4H3
InChIKey KTSCCCXIRBARKW-UHFFFAOYSA-N
Molecular Weight 390.775 g/mol
SMILES c12C(c3c(OC(=O)C)c(Cl)ccc3Oc2c(OC)c(cc1OC(=O)C)C)=O
SPLASH splash10-0006-9012000000-1b78e2f6cbb86149b6d3
Source of Spectrum B-40-1176-8
Synonyms 2-Chloro-1,8-diacetoxy-5-methoxy-6-methyl-9H-xanthen-9-one 4-Dechlorothiomelin diacetate 8-(acetyloxy)-2-chloro-5-methoxy-6-methyl-9-oxo-9H-xanthen-1-yl acetate
Wiley ID 1364651