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METHYL-(S)-(-)-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-3-PHENYLPROPIONATE-HYDROBROMIDE
SpectraBase Compound ID 4wE7mDxSjQB
InChI InChI=1S/C20H20N2O2S.BrH/c1-15-13-19(25-22(15)17-11-7-4-8-12-17)21-18(20(23)24-2)14-16-9-5-3-6-10-16;/h3-13,18H,14H2,1-2H3;1H/b21-19+;/t18-;/m0./s1
InChIKey WROASRLPWBSAAH-SHNUJQNJSA-N
Mol Weight 433.36 g/mol
Molecular Formula C20H21BrN2O2S
Exact Mass 432.050712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4p10yFMv2Ci
Name METHYL-(S)-(-)-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-3-PHENYLPROPIONATE-HYDROBROMIDE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21BrN2O2S
InChI InChI=1S/C20H20N2O2S.BrH/c1-15-13-19(25-22(15)17-11-7-4-8-12-17)21-18(20(23)24-2)14-16-9-5-3-6-10-16;/h3-13,18H,14H2,1-2H3;1H/b21-19+;/t18-;/m0./s1
InChIKey WROASRLPWBSAAH-SHNUJQNJSA-N
Literature Reference Author D.CIEZ,E.SZNELER
Literature Reference Citation MH.CHEM.,136,2059(2005)
Literature Reference DOI 10.1007/s00706-005-0353-4
Molecular Weight 433.363 g/mol
Solvent CDCl3
Source File Reference UWSI23889