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2-(2-Hydroxy-3-methoxy-5-nitro-styryl)-3-methyl-benzothiazolium cation
SpectraBase Compound ID B5M03m1EUS9
InChI InChI=1S/C17H14N2O4S/c1-18-13-5-3-4-6-15(13)24-16(18)8-7-11-9-12(19(21)22)10-14(23-2)17(11)20/h3-10H,1-2H3/p+1
InChIKey PTMOPXRLSUUQEI-UHFFFAOYSA-O
Mol Weight 343.38 g/mol
Molecular Formula C17H15N2O4S
Exact Mass 343.075253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvT5XINM0kI
Name 2-(2-Hydroxy-3-methoxy-5-nitro-styryl)-3-methyl-benzothiazolium cation
CAS Registry Number 62549-94-4
Comments perchlorate
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Formula C17H15N2O4S
InChI InChI=1S/C17H14N2O4S/c1-18-13-5-3-4-6-15(13)24-16(18)8-7-11-9-12(19(21)22)10-14(23-2)17(11)20/h3-10H,1-2H3/p+1
InChIKey PTMOPXRLSUUQEI-UHFFFAOYSA-O
Instrument Name Varian XL-100
Literature Reference A.M. Samat, R.J. Guglielmetti, G.J.Martin, Org. Magn. Resonance 8, 62 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6