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

*Links on SpectraBase are not permalinks.
4-METHOXY-INDOL-3-YLMETHYL-GLUCOSINOLATE;4MI3M
SpectraBase Compound ID 2fGJAwr6efn
InChI InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1
InChIKey IIAGSABLXRZUSE-KYKLFQSUSA-N
Mol Weight 478.49 g/mol
Molecular Formula C17H22N2O10S2
Exact Mass 478.071587 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 JzyO1ieGlKg
Name 4-METHOXY-INDOL-3-YLMETHYL-GLUCOSINOLATE;4MI3M
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O10S2
InChI InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1
InChIKey IIAGSABLXRZUSE-KYKLFQSUSA-N
Literature Reference Author A.ISHIHARA,Y.ASADA,Y.TAKAHASHI,N.YABE,Y.KOMEDA,T.NISHIOKA,H. MIYAGAWA,K.WAKASA
Literature Reference Citation PHYTOCHEM.,67,2349(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.08.008
Molecular Weight 478.489 g/mol
Sample ID 67195
Solvent CD3OD