| SpectraBase Spectrum ID |
D4fbKyx2c2b |
| Name |
3-{[2,3-Dihydro-2-(3,4-dimethoxypehenethyl)-1,3-dioxo-1H-benz[de]isoquinolin-6-yl]thio}-p-propionotoluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.187543243 u |
| Formula |
C32H30N2O5S |
| InChI |
InChI=1S/C32H30N2O5S/c1-20-7-10-22(11-8-20)33-29(35)16-18-40-28-14-12-25-30-23(28)5-4-6-24(30)31(36)34(32(25)37)17-15-21-9-13-26(38-2)27(19-21)39-3/h4-14,19H,15-18H2,1-3H3,(H,33,35) |
| InChIKey |
FOXGXQIDADCCGI-UHFFFAOYSA-N |
| Molecular Weight |
554.661 g/mol |
| SMILES |
N(C1=CC=C(C)C=C1)C(=O)CCSC1=CC=C2C3=C1C=CC=C3C(=O)N(C2=O)CCC1=CC=C(C(=C1)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.749712 |
![3-{[2,3-Dihydro-2-(3,4-dimethoxypehenethyl)-1,3-dioxo-1H-benz[de]isoquinolin-6-yl]thio}-p-propionotoluidide](/api/spectrum/D4fbKyx2c2b/structure.png?h=300&w=458 "3-{[2,3-Dihydro-2-(3,4-dimethoxypehenethyl)-1,3-dioxo-1H-benz[de]isoquinolin-6-yl]thio}-p-propionotoluidide")
