John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=120cfHtiNU6 SpectraBase Spectrum ID=Dw6WkvfmBe1

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METHYL-(S)-(-)-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PROPIONATE-HYDROBROMIDE
SpectraBase Compound ID 120cfHtiNU6
InChI InChI=1S/C14H16N2O2S.BrH/c1-10-9-13(15-11(2)14(17)18-3)19-16(10)12-7-5-4-6-8-12;/h4-9,11H,1-3H3;1H/b15-13+;/t11-;/m0./s1
InChIKey HKAVOCJWLXVDKP-LFPDCGJBSA-N
Mol Weight 357.27 g/mol
Molecular Formula C14H17BrN2O2S
Exact Mass 356.019411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dw6WkvfmBe1
Name METHYL-(S)-(-)-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PROPIONATE-HYDROBROMIDE
Compound Number 5B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17BrN2O2S
InChI InChI=1S/C14H16N2O2S.BrH/c1-10-9-13(15-11(2)14(17)18-3)19-16(10)12-7-5-4-6-8-12;/h4-9,11H,1-3H3;1H/b15-13+;/t11-;/m0./s1
InChIKey HKAVOCJWLXVDKP-LFPDCGJBSA-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 357.265 g/mol
Solvent CDCl3
Source File Reference UWSI23888
SpectraBase Batch ID H8V4nMjfL90