| SpectraBase Compound ID | 8TYHc4BaP3M |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-9(2)18-13(17)11(8-15)14-12(16)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,16) |
| InChIKey | VXAACTMWWQGZAQ-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BpiyIcbC43a |
|---|---|
| Name | Propanoic acid, 2-(benzoylamino)-3-hydroxy-, 1-methylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-9(2)18-13(17)11(8-15)14-12(16)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,16) |
| InChIKey | VXAACTMWWQGZAQ-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1=C(C=CC=C1)C(NC(CO)C(OC(C)C)=O)=O |