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2-BUTYL-3,5-DIAMINO-4-NITROSO-2H-1,2,6-THIADIAZINE-1,1-DIOXIDE;ISOMER-A

View entire compound with spectra: 4 NMR, and 1 MS (GC)

2-BUTYL-3,5-DIAMINO-4-NITROSO-2H-1,2,6-THIADIAZINE-1,1-DIOXIDE;ISOMER-A
SpectraBase Compound ID 7KtF1tdTiIW
InChI InChI=1S/C7H13N5O3S/c1-2-3-4-12-7(9)5(10-13)6(8)11-16(12,14)15/h2-4,9H2,1H3,(H2,8,11)
InChIKey JDYJZFIECSJJGP-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C7H13N5O3S
Exact Mass 247.07391 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AS4D3T1zDRi
Name 2-BUTYL-3,5-DIAMINO-4-NITROSO-2H-1,2,6-THIADIAZINE-1,1-DIOXIDE;ISOMER-A
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H13N5O3S
InChI InChI=1S/C7H13N5O3S/c1-2-3-4-12-7(9)5(10-13)6(8)11-16(12,14)15/h2-4,9H2,1H3,(H2,8,11)
InChIKey JDYJZFIECSJJGP-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
Solvent DMSO-D6
Source File Reference UWCS21323