| SpectraBase Compound ID | 2cvtRuKHsK |
|---|---|
| InChI | InChI=1S/C21H15NO2/c23-20-17-8-4-5-9-18(17)21(24)19(20)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | JZLCKHOFUIRSKY-UHFFFAOYSA-N |
| Mol Weight | 313.36 g/mol |
| Molecular Formula | C21H15NO2 |
| Exact Mass | 313.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IW89nQPEwH9 |
|---|---|
| Name | 2-(1-Benzyl-1,4-dihydropyridin-4-yliden)-1,3-dioxoindan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.110278725 u |
| Formula | C21H15NO2 |
| InChI | InChI=1S/C21H15NO2/c23-20-17-8-4-5-9-18(17)21(24)19(20)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | JZLCKHOFUIRSKY-UHFFFAOYSA-N |
| Molecular Weight | 313.356 g/mol |
| SMILES | C(N1C=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C1=CC=CC=C1 |