[1-Benzyl-2-(4,5-dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

SpectraBase Compound ID	BgETINUXVRn
InChI	InChI=1S/C28H27NO6/c1-28(2,3)35-27(34)29-19(15-16-9-5-4-6-10-16)25(32)22-17-11-7-13-20(30)23(17)26(33)24-18(22)12-8-14-21(24)31/h4-14,19,22,30-31H,15H2,1-3H3,(H,29,34)
InChIKey	RIZLHBSCEBZWPV-UHFFFAOYSA-N Google Search
Mol Weight	473.53 g/mol
Molecular Formula	C28H27NO6
Exact Mass	473.183838 g/mol

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SpectraBase Spectrum ID	4Z12jItbJE2
Name	[1-Benzyl-2-(4,5-dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	473.183837587 u
Formula	C28H27NO6
InChI	InChI=1S/C28H27NO6/c1-28(2,3)35-27(34)29-19(15-16-9-5-4-6-10-16)25(32)22-17-11-7-13-20(30)23(17)26(33)24-18(22)12-8-14-21(24)31/h4-14,19,22,30-31H,15H2,1-3H3,(H,29,34)
InChIKey	RIZLHBSCEBZWPV-UHFFFAOYSA-N
Molecular Weight	473.525 g/mol
SMILES	C1(C=2C(C(C(C(NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)C3=C1C(O)=CC=C3)=CC=CC2O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.832124