| SpectraBase Spectrum ID |
6KIN6P4CKEQ |
| Name |
3-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.162708221 u |
| Formula |
C22H23NO4 |
| InChI |
InChI=1S/C22H23NO4/c1-3-25-19-11-14-9-10-23-21(16(14)12-20(19)26-4-2)17-13-27-18-8-6-5-7-15(18)22(17)24/h5-8,11-13,21,23H,3-4,9-10H2,1-2H3 |
| InChIKey |
BRNMQWNJLZTXNN-UHFFFAOYSA-N |
| Molecular Weight |
365.429 g/mol |
| SMILES |
C=1(C(C=2C=CC=CC2OC1)=O)C1C=2C=C(OCC)C(=CC2CCN1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807008 |
