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

*Links on SpectraBase are not permalinks.
2-Cyclohexen-1-one, 2-[2-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)ethyl]-
SpectraBase Compound ID BMB88303pG2
InChI InChI=1S/C20H27NO3/c1-21-11-10-15-12-19(23-2)20(24-3)13-16(15)17(21)9-8-14-6-4-5-7-18(14)22/h6,12-13,17H,4-5,7-11H2,1-3H3
InChIKey AIDDRLYLFJNSJT-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID KCcjQshKdSn
Name 2-Cyclohexen-1-one, 2-[2-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.199093730 u
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-21-11-10-15-12-19(23-2)20(24-3)13-16(15)17(21)9-8-14-6-4-5-7-18(14)22/h6,12-13,17H,4-5,7-11H2,1-3H3
InChIKey AIDDRLYLFJNSJT-UHFFFAOYSA-N
Molecular Weight 329.440 g/mol
SMILES C1=2C(N(C)CCC2C=C(C(=C1)OC)OC)CCC=1C(=O)CCCC1