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3-METHYL-4H-1,2,4-BENZOTHIADIAZINE, 1,1-DIOXIDE

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3-METHYL-4H-1,2,4-BENZOTHIADIAZINE, 1,1-DIOXIDE
SpectraBase Compound ID Ae03GJroOR9
InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
InChIKey FDWRKMPNEIXNOE-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C8H8N2O2S
Exact Mass 196.030649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTtZ9dzOkVE
Name 3-METHYL-4H-1,2,4-BENZOTHIADIAZINE, 1,1-DIOXIDE
Source of Sample P. Jakobsen, S. Treppendahl Tetrahedron 35, 2151(1979)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O2S
InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
InChIKey FDWRKMPNEIXNOE-UHFFFAOYSA-N
Molecular Weight 196.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms BENZOTHIADIAZINE, 4H-1,2,4-, 3-METHYL-, 1,1-DIOXIDE