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2,3-di[(2'hydroxy-4'-methoxy)phenyl]-trans-1,2,3,4-tetrahydrobenzo[g]quinoxaline-5,10-quinone
SpectraBase Compound ID 8WPjuKHz6zL
InChI InChI=1S/C26H22N2O6/c1-33-13-7-9-17(19(29)11-13)21-22(18-10-8-14(34-2)12-20(18)30)28-24-23(27-21)25(31)15-5-3-4-6-16(15)26(24)32/h3-12,21-22,27-30H,1-2H3/t21-,22-/m0/s1
InChIKey AQGHRCWMVSCKIK-VXKWHMMOSA-N
Mol Weight 458.47 g/mol
Molecular Formula C26H22N2O6
Exact Mass 458.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9P4KbSxyZXN
Name 2,3-di[(2'hydroxy-4'-methoxy)phenyl]-trans-1,2,3,4-tetrahydrobenzo[g]quinoxaline-5,10-quinone
CAS Registry Number 108059-19-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2O6
InChI InChI=1S/C26H22N2O6/c1-33-13-7-9-17(19(29)11-13)21-22(18-10-8-14(34-2)12-20(18)30)28-24-23(27-21)25(31)15-5-3-4-6-16(15)26(24)32/h3-12,21-22,27-30H,1-2H3/t21-,22-/m0/s1
InChIKey AQGHRCWMVSCKIK-VXKWHMMOSA-N
Molecular Weight 458.470 g/mol
SMILES N1[C@]([C@](c2c(cc(cc2)OC)O)(NC2=C1C(=O)c1c(C2=O)cccc1)[H])(c1c(cc(cc1)OC)O)[H]
SPLASH splash10-000i-0009000000-03044e8bfd406c8502e6
Source of Spectrum K-120-1128-4
Synonyms (2S,3S)-2,3-bis(2-hydroxy-4-methoxyphenyl)-1,2,3,4-tetrahydrobenzo[g]quinoxaline-5,10-dione
Wiley ID 1389889