| SpectraBase Compound ID | IwJBcqZTsZz |
|---|---|
| InChI | InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12) |
| InChIKey | MGBHVVGQPZDMHA-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C9H15NO4 |
| Exact Mass | 201.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZTOARj3sz8 |
|---|---|
| Name | N-T-Butoxycarbonyldehydroalanine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.100107963 u |
| Formula | C9H15NO4 |
| InChI | InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12) |
| InChIKey | MGBHVVGQPZDMHA-UHFFFAOYSA-N |
| Molecular Weight | 201.222 g/mol |
| SMILES | C(NC(C(=O)OC)=C)(OC(C)(C)C)=O |