For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-(S,S)-(-)-3-METHYL-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PENTANOATE-HYDROBROMIDE
SpectraBase Compound ID IZWrQVpFOiE
InChI InChI=1S/C17H22N2O2S.BrH/c1-5-12(2)16(17(20)21-4)18-15-11-13(3)19(22-15)14-9-7-6-8-10-14;/h6-12,16H,5H2,1-4H3;1H/b18-15+;/t12-,16-;/m0./s1
InChIKey WYNXOMUUTJPSPR-MNFYJUPQSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4Jot9Pg7I4v
Name METHYL-(S,S)-(-)-3-METHYL-2-(3-METHYL-2-PHENYL-2H-ISOTHIAZOL-5-YLIDENEAMINO)-PENTANOATE-HYDROBROMIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23BrN2O2S
InChI InChI=1S/C17H22N2O2S.BrH/c1-5-12(2)16(17(20)21-4)18-15-11-13(3)19(22-15)14-9-7-6-8-10-14;/h6-12,16H,5H2,1-4H3;1H/b18-15+;/t12-,16-;/m0./s1
InChIKey WYNXOMUUTJPSPR-MNFYJUPQSA-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 UWSI23891