| SpectraBase Spectrum ID |
6KiIvSP5I5g |
| Name |
1,2,3,4-Tetrahydroisoquinolin-7-one, 6-methoxy-1- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-21-15-4-3-11(7-13(15)19)17-12-9-14(20)16(22-2)8-10(12)5-6-18-17/h3-4,7-9,17-20H,5-6H2,1-2H3 |
| InChIKey |
YGHHVDWUMWUDDC-UHFFFAOYSA-N |
| Molecular Weight |
301.342 g/mol |
| SMILES |
C1(=CC(=CC=C1OC)C1C2=CC(=C(C=C2CCN1)OC)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910628 |
