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3-sec-BUTYL-1H-2,1,3-BENZOTHIADIAZIN-4(3H)-ONE, 2,2-DIOXIDE
SpectraBase Compound ID 8ihsaYC6U1k
InChI InChI=1S/C11H14N2O3S/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12-17(13,15)16/h4-8,12H,3H2,1-2H3
InChIKey GDVLXRNDONDXLH-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C11H14N2O3S
Exact Mass 254.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVUt4PLoqvw
Name 3-sec-BUTYL-1H-2,1,3-BENZOTHIADIAZIN-4(3H)-ONE, 2,2-DIOXIDE
Source of Sample W. Bremser BASF Ludwigshafen (1973)
CAS Registry Number 50723-86-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3S
InChI InChI=1S/C11H14N2O3S/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12-17(13,15)16/h4-8,12H,3H2,1-2H3
InChIKey GDVLXRNDONDXLH-UHFFFAOYSA-N
Molecular Weight 254.31
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms BENZOTHIADIAZIN-4/3H/-ONE, 1H-2,1,3-, 3-sec-BUTYL-, 2,2-DIOXIDE