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METHYL-(S)-(-)-4-METHYL-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PENTANOATE-HYDROBROMIDE
SpectraBase Compound ID LBDL5KW5HaQ
InChI InChI=1S/C17H22N2O2S.BrH/c1-12(2)10-15(17(20)21-4)18-16-11-13(3)19(22-16)14-8-6-5-7-9-14;/h5-9,11-12,15H,10H2,1-4H3;1H/b18-16+;/t15-;/m0./s1
InChIKey GHXXHIGMIVJRFX-XEAUYQATSA-N
Mol Weight 399.35 g/mol
Molecular Formula C17H23BrN2O2S
Exact Mass 398.066362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tXx2KT0tNf
Name METHYL-(S)-(-)-4-METHYL-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PENTANOATE-HYDROBROMIDE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23BrN2O2S
InChI InChI=1S/C17H22N2O2S.BrH/c1-12(2)10-15(17(20)21-4)18-16-11-13(3)19(22-16)14-8-6-5-7-9-14;/h5-9,11-12,15H,10H2,1-4H3;1H/b18-16+;/t15-;/m0./s1
InChIKey GHXXHIGMIVJRFX-XEAUYQATSA-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 399.346 g/mol
Solvent CDCl3
Source File Reference UWSI23890