| SpectraBase Spectrum ID |
BiwIe2BRdb2 |
| Name |
1-(3,3-Dimethyl-4H-isoquinolin-1-yl)-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.215078148 u |
| Formula |
C24H28N2O2 |
| InChI |
InChI=1S/C24H28N2O2/c1-23(2)13-15-9-7-8-10-17(15)21(25-23)22-18-12-20(28-6)19(27-5)11-16(18)14-24(3,4)26-22/h7-12H,13-14H2,1-6H3 |
| InChIKey |
TUDDBIBRAYSSQV-UHFFFAOYSA-N |
| Molecular Weight |
376.500 g/mol |
| SMILES |
C1(C2=NC(C)(C)CC3=C2C=CC=C3)=NC(C)(C)CC2=C1C=C(C(OC)=C2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934052 |
