| SpectraBase Compound ID | 5kJUY5r50f9 |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-2-3-5-10-14-15(18)21-12-17(14)16(19)20-11-13-8-6-4-7-9-13/h3-4,6-9,14H,1,5,10-12H2/t14-/m0/s1 |
| InChIKey | PGQRUHIHLRXVHJ-AWEZNQCLSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9y8PkCGUFSk |
|---|---|
| Name | (4S)-5-Keto-4-penta-3,4-dienyl-oxazolidine-3-carboxylic acid benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-2-3-5-10-14-15(18)21-12-17(14)16(19)20-11-13-8-6-4-7-9-13/h3-4,6-9,14H,1,5,10-12H2/t14-/m0/s1 |
| InChIKey | PGQRUHIHLRXVHJ-AWEZNQCLSA-N |
| SMILES | C(N1COC([C@@]1(CCC=C=C)[H])=O)(OCC1=CC=CC=C1)=O |