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9H-Xanthen-9-one, 4-chloro-1-hydroxy-3,6-dimethoxy-8-methyl-
SpectraBase Compound ID 3XNOIWCGu4t
InChI InChI=1S/C16H13ClO5/c1-7-4-8(20-2)5-10-12(7)15(19)13-9(18)6-11(21-3)14(17)16(13)22-10/h4-6,18H,1-3H3
InChIKey XHCJIWRCLSSDCD-UHFFFAOYSA-N
Mol Weight 320.73 g/mol
Molecular Formula C16H13ClO5
Exact Mass 320.045151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzGdejEbLPl
Name 9H-Xanthen-9-one, 4-chloro-1-hydroxy-3,6-dimethoxy-8-methyl-
Alternate Name(s) 4-Chloro-1-hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one
CAS Registry Number 65658-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClO5
InChI InChI=1S/C16H13ClO5/c1-7-4-8(20-2)5-10-12(7)15(19)13-9(18)6-11(21-3)14(17)16(13)22-10/h4-6,18H,1-3H3
InChIKey XHCJIWRCLSSDCD-UHFFFAOYSA-N
Molecular Weight 320.728 g/mol
SMILES Oc1c2c(Oc3c(C2=O)c(cc(OC)c3)C)c(Cl)c(c1)OC
SPLASH splash10-00di-0019000000-f608074ebf8a32466c69
Source of Spectrum B-31-153-0
Wiley ID 1319892