| SpectraBase Compound ID | 3MjiAokEHYf |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1 |
| InChIKey | AXFVKVXHZDQMGP-LURJTMIESA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C8H15NO4 |
| Exact Mass | 189.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYNLYwnqxUK |
|---|---|
| Name | (S)-3-Aminobutyric acid, N-(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.100107963 u |
| Formula | C8H15NO4 |
| InChI | InChI=1S/C8H15NO4/c1-4-13-8(11)9-6(2)5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1 |
| InChIKey | AXFVKVXHZDQMGP-LURJTMIESA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | C([C@](C)(NC(OCC)=O)[H])C(=O)OC |