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VSQJIWCEUMZNQO-OEAKJJBVSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

VSQJIWCEUMZNQO-OEAKJJBVSA-N
SpectraBase Compound ID EK5BS2SJcKq
InChI InChI=1S/C21H18N4O3S/c1-16(26)24(23-14-17-9-11-19(12-10-17)25(27)28)20-8-5-13-22-21(20)29-15-18-6-3-2-4-7-18/h2-14H,15H2,1H3/b23-14+
InChIKey VSQJIWCEUMZNQO-OEAKJJBVSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50WJ2tcaHDA
Name VSQJIWCEUMZNQO-OEAKJJBVSA-N
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N4O3S
InChI InChI=1S/C21H18N4O3S/c1-16(26)24(23-14-17-9-11-19(12-10-17)25(27)28)20-8-5-13-22-21(20)29-15-18-6-3-2-4-7-18/h2-14H,15H2,1H3/b23-14+
InChIKey VSQJIWCEUMZNQO-OEAKJJBVSA-N
Literature Reference Author S.ANDREAE,E.SCHMITZ
Literature Reference Citation HETEROCYCLES,37,379(1994)
Literature Reference DOI 10.3987/COM-93-S18
Molecular Weight 406.459 g/mol
Solvent DMSO-D6
Source File Reference UWCP4917