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2-(3-Acetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(3-Acetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
SpectraBase Compound ID 2z3IdQvLCrr
InChI InChI=1S/C19H14O6/c1-9(20)15-10(8-14(21)25-2)7-13-16(19(15)24)18(23)12-6-4-3-5-11(12)17(13)22/h3-7,24H,8H2,1-2H3
InChIKey WJHHMHRGIDGLEE-UHFFFAOYSA-N
Mol Weight 338.32 g/mol
Molecular Formula C19H14O6
Exact Mass 338.079038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Llm96wLRXEG
Name 2-(3-Acetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.079038165 u
Formula C19H14O6
InChI InChI=1S/C19H14O6/c1-9(20)15-10(8-14(21)25-2)7-13-16(19(15)24)18(23)12-6-4-3-5-11(12)17(13)22/h3-7,24H,8H2,1-2H3
InChIKey WJHHMHRGIDGLEE-UHFFFAOYSA-N
Molecular Weight 338.315 g/mol
SMILES C(CC=1C=C2C(=C(C1C(=O)C)O)C(C=1C=CC=CC1C2=O)=O)(=O)OC