| SpectraBase Spectrum ID |
KqiIwqDNV7S |
| Name |
3-Hydroxymethyl-5,6-dimethoxy-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 |
237.136493473 u |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-14-7-9-4-5-12(16-2)13(17-3)11(9)6-10(14)8-15/h4-5,10,15H,6-8H2,1-3H3 |
| InChIKey |
SIVZZRCAPQMTPZ-UHFFFAOYSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
C12=C(CN(C(C2)CO)C)C=CC(=C1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8025 |
