| SpectraBase Spectrum ID |
5gd6KPwnB9Z |
| Name |
3,3-Dimethyl-1-(pyridin-2-ylmethyl)-4H-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.146998588 u |
| Formula |
C17H18N2 |
| InChI |
InChI=1S/C17H18N2/c1-17(2)12-13-7-3-4-9-15(13)16(19-17)11-14-8-5-6-10-18-14/h3-10H,11-12H2,1-2H3 |
| InChIKey |
QQWUNVYGEMREIA-UHFFFAOYSA-N |
| Molecular Weight |
250.345 g/mol |
| SMILES |
C(C1=NC=CC=C1)C=1C2=C(CC(C)(C)N1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927169 |
