| SpectraBase Spectrum ID |
2JEfFMACWuc |
| Name |
3-(3,4-Dihydro-1H-isoquinolin-2-yl)- 1-o-tolylpyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.152477890 u |
| Formula |
C20H20N2O2 |
| InChI |
InChI=1S/C20H20N2O2/c1-14-6-2-5-9-17(14)22-19(23)12-18(20(22)24)21-11-10-15-7-3-4-8-16(15)13-21/h2-9,18H,10-13H2,1H3 |
| InChIKey |
XNVUQHIRNJKJKZ-UHFFFAOYSA-N |
| Molecular Weight |
320.392 g/mol |
| SMILES |
C1(N2C(C(N3CC4=C(CC3)C=CC=C4)CC2=O)=O)=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902393 |
