| SpectraBase Compound ID | LC0kreQLDo9 |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-3-12-7(10)5-6-9-8(11)13-4-2/h3-6H2,1-2H3,(H,9,11) |
| InChIKey | QMACXNGEKDGRAL-UHFFFAOYSA-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 | Gy3iyohjgKv |
|---|---|
| Name | .beta.-Alanine, N-ethoxycarbonyl-, ethyl 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/c1-3-12-7(10)5-6-9-8(11)13-4-2/h3-6H2,1-2H3,(H,9,11) |
| InChIKey | QMACXNGEKDGRAL-UHFFFAOYSA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | C(C(=O)OCC)CNC(OCC)=O |