![cis-4-[p-(1-carboxyethyl)anilino]cyclohexanecarboxylic acid, 4-ethyl methyl ester, oxalate (1:1) (salt)](/api/spectrum/90mIYQwT2Jk/structure.png?h=300&w=458 "cis-4-[p-(1-carboxyethyl)anilino]cyclohexanecarboxylic acid, 4-ethyl methyl ester, oxalate (1:1) (salt)")
| SpectraBase Compound ID | DocQLp4dSe2 |
|---|---|
| InChI | InChI=1S/C19H27NO4.C2H2O4/c1-4-24-18(21)13(2)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)19(22)23-3;3-1(4)2(5)6/h5-6,9-10,13,15,17,20H,4,7-8,11-12H2,1-3H3;(H,3,4)(H,5,6)/t13?,15-,17+; |
| InChIKey | OEBFYRIXZYBCMD-NRSMKZNISA-N |
| Mol Weight | 423.46 g/mol |
| Molecular Formula | C21H29NO8 |
| Exact Mass | 423.189317 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90mIYQwT2Jk |
|---|---|
| Name | cis-4-[p-(1-carboxyethyl)anilino]cyclohexanecarboxylic acid, 4-ethyl methyl ester, oxalate (1:1) (salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29NO8 |
| InChI | InChI=1S/C19H27NO4.C2H2O4/c1-4-24-18(21)13(2)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)19(22)23-3;3-1(4)2(5)6/h5-6,9-10,13,15,17,20H,4,7-8,11-12H2,1-3H3;(H,3,4)(H,5,6)/t13?,15-,17+; |
| InChIKey | OEBFYRIXZYBCMD-NRSMKZNISA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 47538M |
| Solvent | DMSO-d6 |