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2-Anthracenecarboxylic acid, 9,10-dihydro-3,6,8-trimethoxy-1-methyl-9,10-dioxo-, ethyl ester
SpectraBase Compound ID 1lL9gMknwq1
InChI InChI=1S/C21H20O7/c1-6-28-21(24)17-10(2)16-13(9-15(17)27-5)19(22)12-7-11(25-3)8-14(26-4)18(12)20(16)23/h7-9H,6H2,1-5H3
InChIKey CCOAEMYHTCMBAW-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPtuS2ac3xj
Name 2-Anthracenecarboxylic acid, 9,10-dihydro-3,6,8-trimethoxy-1-methyl-9,10-dioxo-, ethyl ester
Alternate Name(s) Ethyl 3,5,7-trimethoxy-1-methylanthraquinone-2-carboxylate ethyl 3,6,8-trimethoxy-1-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate Ethyl 3,6,8-trimethoxy-1-methylanthraquinone-2-carboxylate
CAS Registry Number 69119-27-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-6-28-21(24)17-10(2)16-13(9-15(17)27-5)19(22)12-7-11(25-3)8-14(26-4)18(12)20(16)23/h7-9H,6H2,1-5H3
InChIKey CCOAEMYHTCMBAW-UHFFFAOYSA-N
Molecular Weight 384.384 g/mol
SMILES c12C(c3c(cc(cc3C(c2cc(c(c1C)C(=O)OCC)OC)=O)OC)OC)=O
SPLASH splash10-0a4i-0009000000-94915619eda58d311ac9
Source of Spectrum B-34-2414-0
Wiley ID 1361507