| SpectraBase Compound ID | LO5EruUBmln |
|---|---|
| InChI | InChI=1S/C21H17Cl2NO3/c1-2-27-20(26)18-17(25)11-21(12-24,14-5-9-16(23)10-6-14)19(18)13-3-7-15(22)8-4-13/h3-10,18-19H,2,11H2,1H3/t18?,19-,21-/m1/s1 |
| InChIKey | LUZXKTAEYXDPCW-NYKYFDBJSA-N |
| Mol Weight | 402.28 g/mol |
| Molecular Formula | C21H17Cl2NO3 |
| Exact Mass | 401.058549 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLu9LCmVHHA |
|---|---|
| Name | 2,3-trans-bis(p-chlorophenyl)-3-cyano-5-oxcyclopentanecarboxylic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H17Cl2NO3 |
| InChI | InChI=1S/C21H17Cl2NO3/c1-2-27-20(26)18-17(25)11-21(12-24,14-5-9-16(23)10-6-14)19(18)13-3-7-15(22)8-4-13/h3-10,18-19H,2,11H2,1H3/t18?,19-,21-/m1/s1 |
| InChIKey | LUZXKTAEYXDPCW-NYKYFDBJSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 34726M |
| Solvent | CDCl3 |