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

*Links on SpectraBase are not permalinks.
ENT-KAUREN-16-ALPHA-ISOTHIOCYANE-16-BETA-METHYL-19-OIC-ACID
SpectraBase Compound ID Du0jGcyPcc3
InChI InChI=1S/C21H31NO2S/c1-18-8-4-9-19(2,17(23)24)15(18)7-10-21-11-14(5-6-16(18)21)20(3,12-21)22-13-25/h14-16H,4-12H2,1-3H3,(H,23,24)/t14-,15+,16+,18-,19-,20-,21+/m1/s1
InChIKey IDUJOFKVFHMSKS-IIDSPLMYSA-N
Mol Weight 361.54 g/mol
Molecular Formula C21H31NO2S
Exact Mass 361.20755 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 2oqeGcyBEEw
Name ENT-KAUREN-16-ALPHA-ISOTHIOCYANE-16-BETA-METHYL-19-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO2S
InChI InChI=1S/C21H31NO2S/c1-18-8-4-9-19(2,17(23)24)15(18)7-10-21-11-14(5-6-16(18)21)20(3,12-21)22-13-25/h14-16H,4-12H2,1-3H3,(H,23,24)/t14-,15+,16+,18-,19-,20-,21+/m1/s1
InChIKey IDUJOFKVFHMSKS-IIDSPLMYSA-N
Literature Reference Author S.K.HARAGUCHI,A.A.SILVA,G.J.VIDOTTI,P.V.DOSSANTOS,F.P.GARCIA ,R.B.PEDROSO,C.V.NAK
Literature Reference Citation MOLECULES,16,1166(2011)
Literature Reference DOI 10.3390/molecules16021166
Molecular Weight 361.543 g/mol
Sample ID 83
Solvent CDCl3