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1,5-Diamino-4,8-dihydroxy-2-(6-hydroxy-m-tolyl)anthraquinone

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

1,5-Diamino-4,8-dihydroxy-2-(6-hydroxy-m-tolyl)anthraquinone
SpectraBase Compound ID ANJmqZWtnO8
InChI InChI=1S/C21H16N2O5/c1-8-2-4-12(24)9(6-8)10-7-14(26)17-18(19(10)23)21(28)16-13(25)5-3-11(22)15(16)20(17)27/h2-7,24-26H,22-23H2,1H3
InChIKey QRQBGBDLAIXYCM-UHFFFAOYSA-N
Mol Weight 376.37 g/mol
Molecular Formula C21H16N2O5
Exact Mass 376.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbNCK5sU7ql
Name 1,5-Diamino-4,8-dihydroxy-2-(6-hydroxy-m-tolyl)anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.105921618 u
Formula C21H16N2O5
InChI InChI=1S/C21H16N2O5/c1-8-2-4-12(24)9(6-8)10-7-14(26)17-18(19(10)23)21(28)16-13(25)5-3-11(22)15(16)20(17)27/h2-7,24-26H,22-23H2,1H3
InChIKey QRQBGBDLAIXYCM-UHFFFAOYSA-N
SMILES NC1=C(C=C(C=2C(C=3C(=CC=C(C3C(C12)=O)O)N)=O)O)C=1C=C(C=CC1O)C