| SpectraBase Spectrum ID |
GnS56pGPrHK |
| Name |
(+)-1,2,3,4-tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-23-17-11-15-9-10-21-20(19(22)25-3,16(15)12-18(17)24-2)13-14-7-5-4-6-8-14/h4-8,11-12,21H,9-10,13H2,1-3H3 |
| InChIKey |
YPTVRLCNHDIUFQ-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)C(NCC2)(C(OC)=O)CC1=CC=CC=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897848 |
