| SpectraBase Compound ID | IFpQljQ2yJH |
|---|---|
| InChI | InChI=1S/C15H21ClN2O2/c1-4-20-15(19)9-13(10-17-11-18(2)3)12-5-7-14(16)8-6-12/h5-8,11,13H,4,9-10H2,1-3H3/b17-11+ |
| InChIKey | ZSKUIAQDRSXQEP-GZTJUZNOSA-N |
| Mol Weight | 296.8 g/mol |
| Molecular Formula | C15H21ClN2O2 |
| Exact Mass | 296.129156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5P3fM6RB5W0 |
|---|---|
| Name | (.+/-.)-baclofen, N-dimethylaminomethylene-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.129155622 u |
| Formula | C15H21ClN2O2 |
| InChI | InChI=1S/C15H21ClN2O2/c1-4-20-15(19)9-13(10-17-11-18(2)3)12-5-7-14(16)8-6-12/h5-8,11,13H,4,9-10H2,1-3H3/b17-11+ |
| InChIKey | ZSKUIAQDRSXQEP-GZTJUZNOSA-N |
| Molecular Weight | 296.798 g/mol |
| SMILES | C1=CC(=CC=C1Cl)C(C\N=C\N(C)C)CC(OCC)=O |