![4-{[(cyclohexylamino)carbonyl]amino}butanoic acid, N,N'-dimethyl-, methyl ester](/api/spectrum/IyofGyeJRRa/structure.png?h=300&w=458 "4-{[(cyclohexylamino)carbonyl]amino}butanoic acid, N,N'-dimethyl-, methyl ester")
| SpectraBase Compound ID | KCVg0VIAOqO |
|---|---|
| InChI | InChI=1S/C14H26N2O3/c1-15(11-7-10-13(17)19-3)14(18)16(2)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3 |
| InChIKey | QEDOVHNOJPGYSO-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C14H26N2O3 |
| Exact Mass | 270.194343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyofGyeJRRa |
|---|---|
| Name | 4-{[(cyclohexylamino)carbonyl]amino}butanoic acid, N,N'-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.194342702 u |
| Formula | C14H26N2O3 |
| InChI | InChI=1S/C14H26N2O3/c1-15(11-7-10-13(17)19-3)14(18)16(2)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3 |
| InChIKey | QEDOVHNOJPGYSO-UHFFFAOYSA-N |
| SMILES | C1(N(C(=O)N(CCCC(=O)OC)C)C)CCCCC1 |