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2-(3-Acetoacetyl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl)acetic acid tert-butyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-(3-Acetoacetyl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl)acetic acid tert-butyl ester
SpectraBase Compound ID LHKdaNEbrPs
InChI InChI=1S/C26H26O9/c1-12(27)7-17(28)20-13(9-19(29)35-26(2,3)4)8-15-22(24(20)31)25(32)21-16(23(15)30)10-14(33-5)11-18(21)34-6/h8,10-11,31H,7,9H2,1-6H3
InChIKey SHAWFPIPRRPBHY-UHFFFAOYSA-N
Mol Weight 482.49 g/mol
Molecular Formula C26H26O9
Exact Mass 482.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdNVJifEDXl
Name 2-(3-Acetoacetyl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl)acetic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.157682408 u
Formula C26H26O9
InChI InChI=1S/C26H26O9/c1-12(27)7-17(28)20-13(9-19(29)35-26(2,3)4)8-15-22(24(20)31)25(32)21-16(23(15)30)10-14(33-5)11-18(21)34-6/h8,10-11,31H,7,9H2,1-6H3
InChIKey SHAWFPIPRRPBHY-UHFFFAOYSA-N
Molecular Weight 482.485 g/mol
SMILES C1=2C(C3=C(C=C(C=C3C(C2C=C(C(=C1O)C(CC(=O)C)=O)CC(OC(C)(C)C)=O)=O)OC)OC)=O