| SpectraBase Compound ID | 3FRqETClCeA |
|---|---|
| InChI | InChI=1S/C21H19NO3/c1-2-25-20(24)18-17(23)13-21(14-22,16-11-7-4-8-12-16)19(18)15-9-5-3-6-10-15/h3-12,18-19H,2,13H2,1H3/t18?,19-,21-/m1/s1 |
| InChIKey | YIYZHTPXZSBYAT-NYKYFDBJSA-N |
| Mol Weight | 333.39 g/mol |
| Molecular Formula | C21H19NO3 |
| Exact Mass | 333.136493 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gc6WoftAtJR |
|---|---|
| Name | 3-cyano-2,3-trans-diphenyl-5-oxocyclopentanecarboxlic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H19NO3 |
| InChI | InChI=1S/C21H19NO3/c1-2-25-20(24)18-17(23)13-21(14-22,16-11-7-4-8-12-16)19(18)15-9-5-3-6-10-15/h3-12,18-19H,2,13H2,1H3/t18?,19-,21-/m1/s1 |
| InChIKey | YIYZHTPXZSBYAT-NYKYFDBJSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 34735M |
| Solvent | CDCl3 |