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4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid
SpectraBase Compound ID A0rAPXuguQw
InChI InChI=1S/C14H9N3O4S/c18-13(19)8-1-3-9(4-2-8)15-14-16-11-6-5-10(17(20)21)7-12(11)22-14/h1-7H,(H,15,16)(H,18,19)
InChIKey PCHVWCBGXMIIHA-UHFFFAOYSA-N
Mol Weight 315.3 g/mol
Molecular Formula C14H9N3O4S
Exact Mass 315.031377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8E1cqSTjods
Name 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid
Compound Number 30C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9N3O4S
InChI InChI=1S/C14H9N3O4S/c18-13(19)8-1-3-9(4-2-8)15-14-16-11-6-5-10(17(20)21)7-12(11)22-14/h1-7H,(H,15,16)(H,18,19)
InChIKey PCHVWCBGXMIIHA-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 315.303 g/mol
Sample ID 40853
Solvent DMSO-D6