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1-(4-NITROBENZYL)-3-ISOPROPYL-1H-2,1,3-BENZOTHIADIAZIN-(4)-3H-ONE 2,2-DIOXIDE
SpectraBase Compound ID BxlHH5K9tT4
InChI InChI=1S/C17H17N3O5S/c1-12(2)19-17(21)15-5-3-4-6-16(15)18(26(19,24)25)11-13-7-9-14(10-8-13)20(22)23/h3-10,12H,11H2,1-2H3
InChIKey RAHNCRHLWKCSKH-UHFFFAOYSA-N
Mol Weight 375.4 g/mol
Molecular Formula C17H17N3O5S
Exact Mass 375.088892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOjN8PkzviG
Name 1-(4-NITROBENZYL)-3-ISOPROPYL-1H-2,1,3-BENZOTHIADIAZIN-(4)-3H-ONE 2,2-DIOXIDE
Comments 30
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17N3O5S
InChI InChI=1S/C17H17N3O5S/c1-12(2)19-17(21)15-5-3-4-6-16(15)18(26(19,24)25)11-13-7-9-14(10-8-13)20(22)23/h3-10,12H,11H2,1-2H3
InChIKey RAHNCRHLWKCSKH-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference J.PROUZEK (1990) Coll.Czech.Chem.Comm.: v.55, N11, 2787-2789.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6