SpectraBase Spectrum ID |
55g7DQ5PKb |
Name |
1,2,3,4-Tetrahydroisoquinolin-6-ol, 1-benzyl-7-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.141578854 u |
Formula |
C17H19NO2 |
InChI |
InChI=1S/C17H19NO2/c1-20-17-11-14-13(10-16(17)19)7-8-18-15(14)9-12-5-3-2-4-6-12/h2-6,10-11,15,18-19H,7-9H2,1H3 |
InChIKey |
CNWPRQACEJXSEY-UHFFFAOYSA-N |
SMILES |
C12=C(C=C(C(=C2)OC)O)CCNC1CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898032 |