| SpectraBase Spectrum ID |
I3oxj14szri |
| Name |
3,4-Dihydroisoquinoline, 6,7,8-trimethoxy-1-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7H,5-6H2,1-4H3 |
| InChIKey |
QXZDYKWNKPSEJX-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C1(=C(C=C2C(=C1OC)C(=NCC2)C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920725 |
