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2-PHENYL-3,5-DIAMINO-4-NITROSO-2H-1,2,6-THIADIAZINE-1,1-DIOXIDE;ISOMER-A
SpectraBase Compound ID K8Freyhy8xE
InChI InChI=1S/C9H9N5O3S/c10-8-7(12-15)9(11)14(18(16,17)13-8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,10,13)
InChIKey DUTHWXZWRAXNOD-UHFFFAOYSA-N
Mol Weight 267.26 g/mol
Molecular Formula C9H9N5O3S
Exact Mass 267.04261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MNHy8VUEtE
Name 2-PHENYL-3,5-DIAMINO-4-NITROSO-2H-1,2,6-THIADIAZINE-1,1-DIOXIDE;ISOMER-B
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N5O3S
InChI InChI=1S/C9H9N5O3S/c10-8-7(12-15)9(11)14(18(16,17)13-8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,10,13)
InChIKey DUTHWXZWRAXNOD-UHFFFAOYSA-N
Literature Reference Author I.ALKORTA,C.GARCIA-GOMEZ,J.L.G.DEPAZ,M.L.JIMENO,V.J.ARAN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,293(1996)
Literature Reference DOI 10.1039/p29960000293
Molecular Weight 267.262 g/mol
Solvent DMSO-D6
Source File Reference UWCS21326