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9H-Xanthen-9-one, 3,6,8-tris(acetyloxy)-2-chloro-1-methyl-
SpectraBase Compound ID 4SOzgMXAYEm
InChI InChI=1S/C20H15ClO8/c1-8-17-15(7-16(19(8)21)28-11(4)24)29-14-6-12(26-9(2)22)5-13(27-10(3)23)18(14)20(17)25/h5-7H,1-4H3
InChIKey NZYNXURITJZWFH-UHFFFAOYSA-N
Mol Weight 418.79 g/mol
Molecular Formula C20H15ClO8
Exact Mass 418.045545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZE66qUWmU8
Name 9H-Xanthen-9-one, 3,6,8-tris(acetyloxy)-2-chloro-1-methyl-
CAS Registry Number 69987-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClO8
InChI InChI=1S/C20H15ClO8/c1-8-17-15(7-16(19(8)21)28-11(4)24)29-14-6-12(26-9(2)22)5-13(27-10(3)23)18(14)20(17)25/h5-7H,1-4H3
InChIKey NZYNXURITJZWFH-UHFFFAOYSA-N
Molecular Weight 418.785 g/mol
SMILES c12C(c3c(c(Cl)c(cc3Oc2cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)C)=O
SPLASH splash10-002f-0079200000-1b3167b624684d2d7f0c
Source of Spectrum F-34-2500-1
Synonyms 1,6-bis(acetyloxy)-7-chloro-8-methyl-9-oxo-9H-xanthen-3-yl acetate 7-Chloro-1,3,6-tri-O-acetylrolichexanthon
Wiley ID 1377056