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9H-Xanthen-9-one, 7-chloro-6-hydroxy-1,3-dimethoxy-8-methyl-
SpectraBase Compound ID 6HcLRnH0ZKj
InChI InChI=1S/C16H13ClO5/c1-7-13-12(6-9(18)15(7)17)22-11-5-8(20-2)4-10(21-3)14(11)16(13)19/h4-6,18H,1-3H3
InChIKey TYTQCEMOJCJSML-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 6rdkKjG7cYY
Name 9H-Xanthen-9-one, 7-chloro-6-hydroxy-1,3-dimethoxy-8-methyl-
Alternate Name(s) 2-Chloro-3-hydroxy-6,8-dimethoxy-1-methyl-9H-xanthen-9-one
CAS Registry Number 68048-26-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClO5
InChI InChI=1S/C16H13ClO5/c1-7-13-12(6-9(18)15(7)17)22-11-5-8(20-2)4-10(21-3)14(11)16(13)19/h4-6,18H,1-3H3
InChIKey TYTQCEMOJCJSML-UHFFFAOYSA-N
Molecular Weight 320.728 g/mol
SMILES Oc1c(Cl)c(C)c2c(c1)Oc1cc(OC)cc(OC)c1C2=O
SPLASH splash10-0uk9-3289000000-b0ded4d889b0e86fe55d
Source of Spectrum W5-1989-10272-1
Wiley ID 1319893