| SpectraBase Compound ID | Vzdd54SmF8 |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-6(2)13-8(11)9-5-4-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
| InChIKey | DBXXLKJYWJTVLX-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 | ANcamA5T9Rs |
|---|---|
| Name | .beta.-Alanine, N-(isopropyloxycarbonyl)-, 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/c1-6(2)13-8(11)9-5-4-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
| InChIKey | DBXXLKJYWJTVLX-UHFFFAOYSA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | C(NC(OC(C)C)=O)CC(OC)=O |