| SpectraBase Spectrum ID |
ApIa4AAAWl8 |
| Name |
1,2,3,4-Tetrahydroisoquinolin-1-carboxylic acid, 1-benzyl-2-acetyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-14(23)22-10-9-16-11-18(26-2)19(27-3)12-17(16)21(22,20(24)25)13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,25) |
| InChIKey |
HAOMLSIQDCWKSG-UHFFFAOYSA-N |
| Molecular Weight |
369.417 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C(=O)C)(C(O)=O)CC1=CC=CC=C1)OC)OC |
