SpectraBase Spectrum ID |
JCpgAAP0Smv |
Name |
1-Cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.125928789 u |
Formula |
C14H17NO2 |
InChI |
InChI=1S/C14H17NO2/c1-16-12-7-10-5-6-15-14(9-3-4-9)11(10)8-13(12)17-2/h7-9H,3-6H2,1-2H3 |
InChIKey |
WQKNZJKIZQBWNB-UHFFFAOYSA-N |
Molecular Weight |
231.295 g/mol |
SMILES |
C1(=NCCC=2C1=CC(=C(C2)OC)OC)C1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953448 |