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2-Morpholino-4-(3-nitrophenylamino)-6-(3,4-
SpectraBase Compound ID 9fVeJBMUcc
InChI InChI=1S/C21H20N8O5.H2O4S/c30-29(31)16-3-1-2-15(11-16)23-19-24-20(26-21(25-19)28-6-8-32-9-7-28)27-22-12-14-4-5-17-18(10-14)34-13-33-17;1-5(2,3)4/h1-5,10-12H,6-9,13H2,(H2,23,24,25,26,27);(H2,1,2,3,4)/b22-12+;
InChIKey RQDDBEHTIRDGNE-RSRKELGKSA-N
Mol Weight 562.51 g/mol
Molecular Formula C21H22N8O9S
Exact Mass 562.123045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqXmGxLz6l1
Name 2-MORPHOLINO-4-(3-NITROPHENYLAMINO)-6-(3,4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22N8O9S
InChI InChI=1S/C21H20N8O5.H2O4S/c30-29(31)16-3-1-2-15(11-16)23-19-24-20(26-21(25-19)28-6-8-32-9-7-28)27-22-12-14-4-5-17-18(10-14)34-13-33-17;1-5(2,3)4/h1-5,10-12H,6-9,13H2,(H2,23,24,25,26,27);(H2,1,2,3,4)/b22-12+;
InChIKey RQDDBEHTIRDGNE-RSRKELGKSA-N
Molecular Weight 562.1226
SMILES OS(O)(=O)=O.N(c1cccc(N(=O)=O)c1)c1nc(nc(N\N=C\c2ccc3OCOc3c2)n1)N1CCOCC1
SPLASH splash10-07vi-9521000000-2f648ec87533fddc3e4f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany