| SpectraBase Spectrum ID |
59C4hlcBAth |
| Name |
Quinoline, 1,2-dihydro-7-methoxy-2,2,4-trimethyl-1-(4-nitrobenzyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.163042573 u |
| Formula |
C20H22N2O3 |
| InChI |
InChI=1S/C20H22N2O3/c1-14-12-20(2,3)21(19-11-17(25-4)9-10-18(14)19)13-15-5-7-16(8-6-15)22(23)24/h5-12H,13H2,1-4H3 |
| InChIKey |
HGNURZFKFDKSOL-UHFFFAOYSA-N |
| Molecular Weight |
338.407 g/mol |
| SMILES |
CC1(C=C(C=2C(=CC(=CC2)OC)N1CC1=CC=C(C=C1)N(=O)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936807 |
