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

*Links on SpectraBase are not permalinks.
1-(4-HYDROXYBENZYL)-6,7-METHYLENEDIOXY-2-METHYLISOQUINOLINIUM_TRIFLUOROACETATE
SpectraBase Compound ID 9FJVduGCPxU
InChI InChI=1S/C18H15NO3.C2HF3O2/c1-19-7-6-13-9-17-18(22-11-21-17)10-15(13)16(19)8-12-2-4-14(20)5-3-12;3-2(4,5)1(6)7/h2-7,9-10H,8,11H2,1H3;(H,6,7)
InChIKey FHICXRSAKZEHGE-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C20H16F3NO5
Exact Mass 407.098057 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 EyKvei15YbR
Name 1-(4-HYDROXYBENZYL)-6,7-METHYLENEDIOXY-2-METHYLISOQUINOLINIUM_TRIFLUOROACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16F3NO5
InChI InChI=1S/C18H15NO3.C2HF3O2/c1-19-7-6-13-9-17-18(22-11-21-17)10-15(13)16(19)8-12-2-4-14(20)5-3-12;3-2(4,5)1(6)7/h2-7,9-10H,8,11H2,1H3;(H,6,7)
InChIKey FHICXRSAKZEHGE-UHFFFAOYSA-N
Literature Reference Author M.S.BUCHANAN,R.A.DAVIS,S.DUFFY,V.M.AVERY,R.J.QUINN
Literature Reference Citation J.NAT.PROD.,72,1541(2009)
Literature Reference DOI 10.1021/np9002564
Molecular Weight 407.346 g/mol
Sample ID 33428
Solvent DMSO-D6