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

*Links on SpectraBase are not permalinks.
2,3,17,18,22,23-HEXAMETHYL-8,12-ISOPROPYLIDENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
SpectraBase Compound ID AvrxQ7kGA3c
InChI InChI=1S/C28H32N4O2.CH4O3S/c1-14-16(3)26(33)29-22(14)11-18-9-20-24(31(18)7)13-25-21(28(20,5)6)10-19(32(25)8)12-23-15(2)17(4)27(34)30-23;1-5(2,3)4/h9-12H,13H2,1-8H3,(H,29,33)(H,30,34);1H3,(H,2,3,4)/p-1/b22-11-,23-12-;
InChIKey UBMJHLFRPCVIQI-KQPHFGGESA-M
Mol Weight 551.7 g/mol
Molecular Formula C29H35N4O5S
Exact Mass 551.232816 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 EbK0kUR0hQY
Name 2,3,17,18,22,23-HEXAMETHYL-8,12-ISOPROPYLIDENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35N4O5S
InChI InChI=1S/C28H32N4O2.CH4O3S/c1-14-16(3)26(33)29-22(14)11-18-9-20-24(31(18)7)13-25-21(28(20,5)6)10-19(32(25)8)12-23-15(2)17(4)27(34)30-23;1-5(2,3)4/h9-12H,13H2,1-8H3,(H,29,33)(H,30,34);1H3,(H,2,3,4)/p-1/b22-11-,23-12-;
InChIKey UBMJHLFRPCVIQI-KQPHFGGESA-M
Literature Reference Author K.V.D.HOEF,M.A.HEMPENIUS,J.H.KOEK,J.LUGTENBURG,R.FOKKENS
Literature Reference Citation REC.TR.CH.P.-B.,106,77(1987)
Literature Reference DOI 10.1002/recl.19871060303
Molecular Weight 551.681 g/mol
Solvent CF3COOD
Source File Reference UWED4567