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3,8-Dihydroxy-2-benzyloxycarbonyl-1-methylanthra-9,10-quinone

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

3,8-Dihydroxy-2-benzyloxycarbonyl-1-methylanthra-9,10-quinone
SpectraBase Compound ID BwObfeM4Fef
InChI InChI=1S/C23H16O6/c1-12-18-15(21(26)14-8-5-9-16(24)20(14)22(18)27)10-17(25)19(12)23(28)29-11-13-6-3-2-4-7-13/h2-10,24-25H,11H2,1H3
InChIKey RKBGMVSLSSQBOA-UHFFFAOYSA-N
Mol Weight 388.38 g/mol
Molecular Formula C23H16O6
Exact Mass 388.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJyyTCR9G6d
Name 3,8-Dihydroxy-2-benzyloxycarbonyl-1-methylanthra-9,10-quinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.094688229 u
Formula C23H16O6
InChI InChI=1S/C23H16O6/c1-12-18-15(21(26)14-8-5-9-16(24)20(14)22(18)27)10-17(25)19(12)23(28)29-11-13-6-3-2-4-7-13/h2-10,24-25H,11H2,1H3
InChIKey RKBGMVSLSSQBOA-UHFFFAOYSA-N
Molecular Weight 388.375 g/mol
SMILES C=12C(C=3C(O)=CC=CC3C(C2=CC(=C(C1C)C(OCC=1C=CC=CC1)=O)O)=O)=O