SpectraBase Spectrum ID |
2m1nyHLLQVS |
Name |
1,2,3,4-Tetrahydroisoquinolin-2-carboxylicacid amide, 1-[1-hydroxyethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
384.204907386 u |
Formula |
C22H28N2O4 |
InChI |
InChI=1S/C22H28N2O4/c1-14(16-8-6-5-7-9-16)23-22(26)24-11-10-17-12-19(27-3)20(28-4)13-18(17)21(24)15(2)25/h5-9,12-15,21,25H,10-11H2,1-4H3,(H,23,26) |
InChIKey |
FRAJUXBNJOIZOQ-UHFFFAOYSA-N |
Molecular Weight |
384.476 g/mol |
SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C(=O)NC(C)C1=CC=CC=C1)C(C)O)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813566 |