SpectraBase Spectrum ID |
DwptUCp58ol |
Name |
(1R)-6,8-Dimethoxy-1-methyl-2-[(1R)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.188529047 u |
Formula |
C20H25NO2 |
InChI |
InChI=1S/C20H25NO2/c1-14(16-8-6-5-7-9-16)21-11-10-17-12-18(22-3)13-19(23-4)20(17)15(21)2/h5-9,12-15H,10-11H2,1-4H3/t14-,15-/m1/s1 |
InChIKey |
HEKJSLZTOAKOTJ-HUUCEWRRSA-N |
SMILES |
[C@]1(N(CCC=2C=C(C=C(C12)OC)OC)[C@@](C1=CC=CC=C1)(C)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819042 |