| SpectraBase Spectrum ID |
LUbuRukZ1I3 |
| Name |
1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.094628661 u |
| Formula |
C16H13NO2 |
| InChI |
InChI=1S/C16H13NO2/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(14)15(18)16(17)19/h2-9H,10H2,1H3 |
| InChIKey |
UOSUSTXEXDHJEO-UHFFFAOYSA-N |
| Molecular Weight |
251.285 g/mol |
| SMILES |
C1(N(C=2C=CC=CC2C1=O)CC1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.869671 |
![1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]-](/api/spectrum/LUbuRukZ1I3/structure.png?h=300&w=458 "1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]-")
