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METHYL-2-AMINO-3-(BENZO-[D]-ISOTHIAZOL-3-YL)-PROPANOATE
SpectraBase Compound ID 4bVxjhuZZ8N
InChI InChI=1S/C11H12N2O2S/c1-15-11(14)8(12)6-9-7-4-2-3-5-10(7)16-13-9/h2-5,8H,6,12H2,1H3
InChIKey OCRCNHGMCMANPA-UHFFFAOYSA-N
Mol Weight 236.29 g/mol
Molecular Formula C11H12N2O2S
Exact Mass 236.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InqNccjpPNJ
Name METHYL-2-AMINO-3-(BENZO-[D]-ISOTHIAZOL-3-YL)-PROPANOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O2S
InChI InChI=1S/C11H12N2O2S/c1-15-11(14)8(12)6-9-7-4-2-3-5-10(7)16-13-9/h2-5,8H,6,12H2,1H3
InChIKey OCRCNHGMCMANPA-UHFFFAOYSA-N
Literature Reference Author M.INCERTI,D.ACQUOTTI,P.VICINI
Literature Reference Citation MAGN.RES.CHEM.,46,1175(2008)
Literature Reference DOI 10.1002/mrc.2308
Molecular Weight 236.288 g/mol
Solvent CDCl3
Source File Reference UWBT16449