| SpectraBase Compound ID | HlQSdMVTKrU |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-3-12-7(10)8-5-4-6(9)11-2/h3-5H2,1-2H3,(H,8,10) |
| InChIKey | ZJVJJZHEWSFIJG-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 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 | 4A2QfKDNkFN |
|---|---|
| Name | .beta.-Alanine, N-(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-3-12-7(10)8-5-4-6(9)11-2/h3-5H2,1-2H3,(H,8,10) |
| InChIKey | ZJVJJZHEWSFIJG-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | C(NC(OCC)=O)CC(OC)=O |