| SpectraBase Spectrum ID |
30FlhIEWG2D |
| Name |
3-(3-oxo-2-Phenethylisoindolin-1-yl)pentane-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-14(23)19(15(2)24)20-17-10-6-7-11-18(17)21(25)22(20)13-12-16-8-4-3-5-9-16/h3-11,19-20H,12-13H2,1-2H3 |
| InChIKey |
YVHAOSRRTWYKBG-UHFFFAOYSA-N |
| Molecular Weight |
335.403 g/mol |
| SMILES |
C1=CC=C2C(C(C(=O)C)C(=O)C)N(C(C2=C1)=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970266 |
