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

*Links on SpectraBase are not permalinks.
1,2,3,4-tetrahydro-5,8-dimethoxy-2,2-dimethyl-1-(3-phenoxybenzyl)-isoquinolinium iodide
SpectraBase Compound ID 54UuAuh6zxP
InChI InChI=1S/C26H30NO3.HI/c1-27(2)16-15-22-24(28-3)13-14-25(29-4)26(22)23(27)18-19-9-8-12-21(17-19)30-20-10-6-5-7-11-20;/h5-14,17,23H,15-16,18H2,1-4H3;1H/q+1;/p-1
InChIKey DVTPOPGMPKSBFJ-UHFFFAOYSA-M
Mol Weight 531.43 g/mol
Molecular Formula C26H30INO3
Exact Mass 531.127039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HSsGrQZx9AY
Name 1,2,3,4-tetrahydro-5,8-dimethoxy-2,2-dimethyl-1-(3-phenoxybenzyl)-isoquinolinium iodide
Alternate Name(s) 5,8-Dimethoxy-2,2-dimethyl-1-(3-phenoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30INO3
InChI InChI=1S/C26H30NO3.HI/c1-27(2)16-15-22-24(28-3)13-14-25(29-4)26(22)23(27)18-19-9-8-12-21(17-19)30-20-10-6-5-7-11-20;/h5-14,17,23H,15-16,18H2,1-4H3;1H/q+1;/p-1
InChIKey DVTPOPGMPKSBFJ-UHFFFAOYSA-M
Molecular Weight 531.434 g/mol
SMILES [I-].C1(c2c(c(OC)ccc2OC)CC[N+]1(C)C)Cc1cc(Oc2ccccc2)ccc1
SPLASH splash10-0a4i-0190000000-051cbf5467f37fb0f782
Source of Spectrum KC-1985-2460-6
Wiley ID 1403463