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

*Links on SpectraBase are not permalinks.
3-(2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-2-(methylthio)benzo[d]thiazol-3-ium chloride
SpectraBase Compound ID FWThYkczWSz
InChI InChI=1S/C20H28NO2S2.ClH/c1-13(2)15-10-9-14(3)11-17(15)23-19(22)12-21-16-7-5-6-8-18(16)25-20(21)24-4;/h5-8,13-15,17H,9-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,17-;/m1./s1
InChIKey DFUMPCPAIXUYPS-WKLLBTDKSA-M
Mol Weight 414.02 g/mol
Molecular Formula C20H28ClNO2S2
Exact Mass 413.124999 g/mol
Parent InChIKey VGUCGOFBNNJGPD-HLLBOEOZSA-M
Enantiomer InChIKey DFUMPCPAIXUYPS-DYWLMRBWSA-M
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.