| SpectraBase Spectrum ID |
ZzApz3I53J |
| Name |
1,2,3,4-Tetrahydroisoquinolin-6,7-diol, 1-phenylmethylene-, 2,6,7-triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.141972775 u |
| Formula |
C22H21NO5 |
| InChI |
InChI=1S/C22H21NO5/c1-14(24)23-10-9-18-12-21(27-15(2)25)22(28-16(3)26)13-19(18)20(23)11-17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3/b20-11+ |
| InChIKey |
GWBBALYDBOKOMB-RGVLZGJSSA-N |
| Molecular Weight |
379.412 g/mol |
| SMILES |
C(OC1=CC2=C(\C(N(CC2)C(=O)C)=C/C2=CC=CC=C2)C=C1OC(C)=O)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83422 |
