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2,3-Dioxobutyric acid, ethyl ester, 2-{{p-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}hydrazone}
SpectraBase Compound ID IBvBCaleja8
InChI InChI=1S/C18H21N5O5S/c1-5-28-17(25)16(13(4)24)22-21-14-6-8-15(9-7-14)29(26,27)23-18-19-11(2)10-12(3)20-18/h6-10,21H,5H2,1-4H3,(H,19,20,23)/b22-16+
InChIKey STEFXMQKKTWXKP-CJLVFECKSA-N
Mol Weight 419.46 g/mol
Molecular Formula C18H21N5O5S
Exact Mass 419.12634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yM43k0No0O
Name 2,3-Dioxobutyric acid, ethyl ester, 2-{{p-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}hydrazone}
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.126339965 u
Formula C18H21N5O5S
InChI InChI=1S/C18H21N5O5S/c1-5-28-17(25)16(13(4)24)22-21-14-6-8-15(9-7-14)29(26,27)23-18-19-11(2)10-12(3)20-18/h6-10,21H,5H2,1-4H3,(H,19,20,23)/b22-16+
InChIKey STEFXMQKKTWXKP-CJLVFECKSA-N
Molecular Weight 419.456 g/mol
SMILES N(C1=CC=C(S(=O)(=O)NC=2N=C(C=C(N2)C)C)C=C1)\N=C\(C(OCC)=O)C(=O)C