![1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]-](/api/spectrum/GLcMrYDztH3/structure.png?h=300&w=458 "1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]-")
| SpectraBase Compound ID | 3TrezUmLsaZ |
|---|---|
| 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 |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLcMrYDztH3 |
|---|---|
| Name | 1H-Indole-2,3-dione, 1-[(4-methylphenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| 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 |