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2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester
SpectraBase Compound ID JL7DvW4HdRL
InChI InChI=1S/C17H12O5/c1-8-13-11(7-12(18)14(8)17(21)22-2)15(19)9-5-3-4-6-10(9)16(13)20/h3-7,18H,1-2H3
InChIKey QXNJKMRVSYRRLR-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb9tRQhCZ8B
Name 2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester
Alternate Name(s) Methyl 3-hydroxy-1-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate Methyl 3-hydroxy-1-methylanthraquinone-2-carboxylate
CAS Registry Number 80750-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O5
InChI InChI=1S/C17H12O5/c1-8-13-11(7-12(18)14(8)17(21)22-2)15(19)9-5-3-4-6-10(9)16(13)20/h3-7,18H,1-2H3
InChIKey QXNJKMRVSYRRLR-UHFFFAOYSA-N
Molecular Weight 296.278 g/mol
SMILES Oc1c(c(c2c(C(=O)c3c(C2=O)cccc3)c1)C)C(=O)OC
SPLASH splash10-0j4s-0390000000-5f912168b87adb4dfe1d
Source of Spectrum B-34-2419-0
Wiley ID 1299083