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2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid
SpectraBase Compound ID Bcc9KMoTG60
InChI InChI=1S/C15H11N3O4S/c19-14(20)7-9-1-3-10(4-2-9)16-15-17-12-6-5-11(18(21)22)8-13(12)23-15/h1-6,8H,7H2,(H,16,17)(H,19,20)
InChIKey LQRPPBGSZJBIQI-UHFFFAOYSA-N
Mol Weight 329.33 g/mol
Molecular Formula C15H11N3O4S
Exact Mass 329.047027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw3GB9iGG2v
Name 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid
Compound Number 31C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11N3O4S
InChI InChI=1S/C15H11N3O4S/c19-14(20)7-9-1-3-10(4-2-9)16-15-17-12-6-5-11(18(21)22)8-13(12)23-15/h1-6,8H,7H2,(H,16,17)(H,19,20)
InChIKey LQRPPBGSZJBIQI-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 329.330 g/mol
Sample ID 40854
Solvent DMSO-D6