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4-AMINO-1-BENZYL-6-[(BENZYLOXYIMINO)-METHYL]-PYRAZINO-[2,3-C]-1,2,6-THIADIAZINE-2,2-DIOXIDE;E-ISOMER
SpectraBase Compound ID 5nTVx302SBF
InChI InChI=1S/C20H18N6O3S/c21-19-18-20(26(30(27,28)25-19)13-15-7-3-1-4-8-15)22-11-17(24-18)12-23-29-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,21,25)/b23-12-
InChIKey TWBVCMKTTVMQGG-FMCGGJTJSA-N
Mol Weight 422.46 g/mol
Molecular Formula C20H18N6O3S
Exact Mass 422.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjlVWNJrjUB
Name 4-AMINO-1-BENZYL-6-[(BENZYLOXYIMINO)-METHYL]-PYRAZINO-[2,3-C]-1,2,6-THIADIAZINE-2,2-DIOXIDE;E-ISOMER
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N6O3S
InChI InChI=1S/C20H18N6O3S/c21-19-18-20(26(30(27,28)25-19)13-15-7-3-1-4-8-15)22-11-17(24-18)12-23-29-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,21,25)/b23-12-
InChIKey TWBVCMKTTVMQGG-FMCGGJTJSA-N
Literature Reference Author I.ALKORTA,P.GOYA,J.A.PAEZ
Literature Reference Citation HETEROCYCLES,32,279(1991)
Literature Reference DOI 10.3987/COM-90-5633
Molecular Weight 422.461 g/mol
Solvent DMSO-D6
Source File Reference UWGE1285