| SpectraBase Compound ID | J2NW4TL141y |
|---|---|
| InChI | InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17) |
| InChIKey | ATCFYQUZTYQTJN-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 | DHKtLUZ1Eak |
|---|---|
| Name | 2-Amino-4-benzylpentanedioic 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/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17) |
| InChIKey | ATCFYQUZTYQTJN-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(C(CC(C(=O)O)N)CC1=CC=CC=C1)(=O)O |