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2-(5-NITRO-3-METHOXYCARBOXYPHENYL)-BENZOTHIAZOLE
SpectraBase Compound ID 5UnJFVOkIZP
InChI InChI=1S/C15H10N2O4S/c1-21-15(18)10-6-9(7-11(8-10)17(19)20)14-16-12-4-2-3-5-13(12)22-14/h2-8H,1H3
InChIKey OWOIGDWGODCHOY-UHFFFAOYSA-N
Mol Weight 314.32 g/mol
Molecular Formula C15H10N2O4S
Exact Mass 314.036128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMo6c0nmDFe
Name 2-(5-NITRO-3-METHOXYCARBOXYPHENYL)-BENZOTHIAZOLE
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10N2O4S
InChI InChI=1S/C15H10N2O4S/c1-21-15(18)10-6-9(7-11(8-10)17(19)20)14-16-12-4-2-3-5-13(12)22-14/h2-8H,1H3
InChIKey OWOIGDWGODCHOY-UHFFFAOYSA-N
Literature Reference Author S.BILLEAU,F.CHATEL,M.ROBIN,R.FAURE,J.P.GALY
Literature Reference Citation MAGN.RES.CHEM.,44,102(2006)
Literature Reference DOI 10.1002/mrc.1704
Molecular Weight 314.315 g/mol
Sample ID 40845
Solvent DMSO-D6