![2-[1-(Benzylamino)ethylidene]-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone](/api/spectrum/44CsewDftxm/structure.png?h=300&w=458 "2-[1-(Benzylamino)ethylidene]-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone")
| SpectraBase Compound ID | 5yi4BJj3BU |
|---|---|
| InChI | InChI=1S/C15H15NO3/c1-10-8-13(17)14(15(18)19-10)11(2)16-9-12-6-4-3-5-7-12/h3-8,16H,9H2,1-2H3 |
| InChIKey | UUVRBECEGDMLLS-UHFFFAOYSA-N |
| Mol Weight | 257.29 g/mol |
| Molecular Formula | C15H15NO3 |
| Exact Mass | 257.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44CsewDftxm |
|---|---|
| Name | 2-[1-(Benzylamino)ethylidene]-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.105193344 u |
| Formula | C15H15NO3 |
| InChI | InChI=1S/C15H15NO3/c1-10-8-13(17)14(15(18)19-10)11(2)16-9-12-6-4-3-5-7-12/h3-8,16H,9H2,1-2H3 |
| InChIKey | UUVRBECEGDMLLS-UHFFFAOYSA-N |
| Molecular Weight | 257.289 g/mol |
| SMILES | N(C(=C1C(=O)C=C(C)OC1=O)C)CC=1C=CC=CC1 |