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N,N'-(5-phenyl-1,3-triazine)-bis(1-amino-9,10-anthraquinone)

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N,N'-(5-phenyl-1,3-triazine)-bis(1-amino-9,10-anthraquinone)
SpectraBase Compound ID 7s3XBHZnPJU
InChI InChI=1S/C37H21N5O4/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-36-40-35(20-10-2-1-3-11-20)41-37(42-36)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)
InChIKey MVIFQPPFCHUSIH-UHFFFAOYSA-N
Mol Weight 599.6 g/mol
Molecular Formula C37H21N5O4
Exact Mass 599.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Vxac20Q2jR
Name N,N'-(5-Phenyl-1,3-triazine)-bis(1-amino-9,10-anthraquinone)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 599.159354172 u
Formula C37H21N5O4
InChI InChI=1S/C37H21N5O4/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-36-40-35(20-10-2-1-3-11-20)41-37(42-36)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)
InChIKey MVIFQPPFCHUSIH-UHFFFAOYSA-N
Molecular Weight 599.606 g/mol
SMILES N(C1=CC=CC=2C(C=3C=CC=CC3C(C12)=O)=O)C=1N=C(N=C(N1)C1=CC=CC=C1)NC1=C2C(=CC=C1)C(C1=C(C2=O)C=CC=C1)=O