SpectraBase Spectrum ID |
LOBwNKFjKFF |
Name |
5-(4'-Isopropoxy-5'-methoxynaphthalen-1'-yl)-3,4-dihydroisoquinolin-8-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
361.167793602 u |
Formula |
C23H23NO3 |
InChI |
InChI=1S/C23H23NO3/c1-14(2)27-22-10-8-16(18-5-4-6-21(26-3)23(18)22)15-7-9-20(25)19-13-24-12-11-17(15)19/h4-10,13-14,25H,11-12H2,1-3H3 |
InChIKey |
QSXDKPKQECLMLL-UHFFFAOYSA-N |
Molecular Weight |
361.441 g/mol |
SMILES |
C1(C=2C3=C(C=NCC3)C(=CC2)O)=C2C(C(OC)=CC=C2)=C(C=C1)OC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916896 |