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1,4-Dimethoxy-9,10-dioxo-3-(3'-oxobut-1'-enyl)-9,10-dihydroanthracene-2-acetic acid
SpectraBase Compound ID JJKodycoywG
InChI InChI=1S/C22H18O7/c1-11(23)8-9-14-15(10-16(24)25)22(29-3)18-17(21(14)28-2)19(26)12-6-4-5-7-13(12)20(18)27/h4-9H,10H2,1-3H3,(H,24,25)/b9-8+
InChIKey YWRNOKOLWKLJCS-CMDGGOBGSA-N
Mol Weight 394.38 g/mol
Molecular Formula C22H18O7
Exact Mass 394.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2z40qrtZae
Name 1,4-Dimethoxy-9,10-dioxo-3-(3'-oxobut-1'-enyl)-9,10-dihydroanthracene-2-acetic acid
Alternate Name(s) {1,4-dimethoxy-9,10-dioxo-3-[(1E)-3-oxo-1-butenyl]-9,10-dihydro-2-anthracenyl}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O7
InChI InChI=1S/C22H18O7/c1-11(23)8-9-14-15(10-16(24)25)22(29-3)18-17(21(14)28-2)19(26)12-6-4-5-7-13(12)20(18)27/h4-9H,10H2,1-3H3,(H,24,25)/b9-8+
InChIKey YWRNOKOLWKLJCS-CMDGGOBGSA-N
Molecular Weight 394.379 g/mol
SMILES OC(Cc1c(c2c(C(=O)c3c(C2=O)cccc3)c(OC)c1\C=C\C(=O)C)OC)=O
SPLASH splash10-00ku-0009000000-c3ddb4fe25bfff5c2466
Source of Spectrum JA-49-1203-0
Wiley ID 1366630