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Ethyl 3-oxo-2-[3-oxo-3,4-dihydro-2(1H)-quinoxalinylidene]-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
SpectraBase Compound ID KTZSbvjP2kz
InChI InChI=1S/C20H19N3O6S/c1-3-29-20(26)16(17-19(25)22-15-7-5-4-6-14(15)21-17)18(24)23-30(27,28)13-10-8-12(2)9-11-13/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24)/b17-16+
InChIKey IYSPTUPMGGPIJR-WUKNDPDISA-N
Mol Weight 429.45 g/mol
Molecular Formula C20H19N3O6S
Exact Mass 429.099457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gApOvANiYM
Name Ethyl 3-oxo-2-[3-oxo-3,4-dihydro-2(1H)-quinoxalinylidene]-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.099456512 u
Formula C20H19N3O6S
InChI InChI=1S/C20H19N3O6S/c1-3-29-20(26)16(17-19(25)22-15-7-5-4-6-14(15)21-17)18(24)23-30(27,28)13-10-8-12(2)9-11-13/h4-11,21H,3H2,1-2H3,(H,22,25)(H,23,24)/b17-16+
InChIKey IYSPTUPMGGPIJR-WUKNDPDISA-N
Molecular Weight 429.447 g/mol
SMILES C(\C(=C/1NC=2C=CC=CC2NC1=O)C(=O)OCC)(NS(C=1C=CC(=CC1)C)(=O)=O)=O