| SpectraBase Compound ID | q79UwPkyYy |
|---|---|
| InChI | InChI=1S/C15H20N2O5/c1-2-21-14(19)9-17-15(20)12(16)8-13(18)22-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,16H2,1H3,(H,17,20) |
| InChIKey | MYEVWIRFMZRGMU-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C15H20N2O5 |
| Exact Mass | 308.137222 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 | 2xA2mYigcQM |
|---|---|
| Name | o-Benzylaspartylglycine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.137221747 u |
| Formula | C15H20N2O5 |
| InChI | InChI=1S/C15H20N2O5/c1-2-21-14(19)9-17-15(20)12(16)8-13(18)22-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,16H2,1H3,(H,17,20) |
| InChIKey | MYEVWIRFMZRGMU-UHFFFAOYSA-N |
| Molecular Weight | 308.334 g/mol |
| SMILES | C1=C(C=CC=C1)COC(CC(C(NCC(=O)OCC)=O)N)=O |