SpectraBase Spectrum ID |
83zHJp2Xi4J |
Name |
1,2,3,4-Tetrahydroisoquinoline, 1-benzyl-2-[N-(1-phenethyl)aminocarbonyl]-6,7-dimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
430.225642831 u |
Formula |
C27H30N2O3 |
InChI |
InChI=1S/C27H30N2O3/c1-19(21-12-8-5-9-13-21)28-27(30)29-15-14-22-17-25(31-2)26(32-3)18-23(22)24(29)16-20-10-6-4-7-11-20/h4-13,17-19,24H,14-16H2,1-3H3,(H,28,30) |
InChIKey |
RYFVVWXKHDTXAK-UHFFFAOYSA-N |
Molecular Weight |
430.548 g/mol |
SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C(NC(C)C1=CC=CC=C1)=O)CC=1C=CC=CC1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838664 |