| SpectraBase Compound ID | 4yjIutiv352 |
|---|---|
| InChI | InChI=1S/C18H17NO2/c1-13-7-9-16(10-8-13)19-17(20)12-15(18(19)21)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3 |
| InChIKey | DPKGUYKPSUEDAI-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C18H17NO2 |
| Exact Mass | 279.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwRA5Xgj4VJ |
|---|---|
| Name | 2,5-Pyrrolidinedione, 1-(4-methylphenyl)-3-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.125928789 u |
| Formula | C18H17NO2 |
| InChI | InChI=1S/C18H17NO2/c1-13-7-9-16(10-8-13)19-17(20)12-15(18(19)21)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3 |
| InChIKey | DPKGUYKPSUEDAI-UHFFFAOYSA-N |
| Molecular Weight | 279.339 g/mol |
| SMILES | C1=CC=C(CC2C(N(C(C2)=O)C2=CC=C(C=C2)C)=O)C=C1 |