SpectraBase Spectrum ID |
9PvudOnFskf |
Name |
3-Hydroxymethyl-5-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
207.125928789 u |
Formula |
C12H17NO2 |
InChI |
InChI=1S/C12H17NO2/c1-13-7-9-4-3-5-12(15-2)11(9)6-10(13)8-14/h3-5,10,14H,6-8H2,1-2H3 |
InChIKey |
KONKAKAQKXKOCP-UHFFFAOYSA-N |
Molecular Weight |
207.273 g/mol |
SMILES |
C1N(C(CC=2C(=CC=CC12)OC)CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80451 |