| SpectraBase Spectrum ID |
4DUqITDwUih |
| Name |
1-(2,5-Dimethylphenyl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-13-6-9-17(10-7-13)12-18-16(4)20(23)22(21(18)24)19-11-14(2)5-8-15(19)3/h5-11,16,18H,12H2,1-4H3 |
| InChIKey |
VTAWQGRYTHWZEP-UHFFFAOYSA-N |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C1=C(C(=CC(=C1)C)N1C(C(CC2=CC=C(C=C2)C)C(C1=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90932 |
