![2-[Benzyl(carbomethoxy)amino]propionic acid](/api/spectrum/422kHuzP9wR/structure.png?h=300&w=458 "2-[Benzyl(carbomethoxy)amino]propionic acid")
| SpectraBase Compound ID | ATXVQJIhRBC |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-9(11(14)15)13(12(16)17-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15) |
| InChIKey | RVPZEDZCBFVZRW-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 422kHuzP9wR |
|---|---|
| Name | 2-[Benzyl(carbomethoxy)amino]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-9(11(14)15)13(12(16)17-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15) |
| InChIKey | RVPZEDZCBFVZRW-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(N(C(C(=O)O)C)CC1=CC=CC=C1)(=O)OC |