| SpectraBase Compound ID | D3EFzwaiL2N |
|---|---|
| InChI | InChI=1S/C21H33NO7/c1-5-26-18-9-22-17(29-18)7-11(2)6-15-20(25)19(24)14(10-27-15)8-16-21(28-16)12(3)13(4)23/h7,9,12-16,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7+/t12-,13-,14-,15?,16-,19+,20-,21-/m0/s1 |
| InChIKey | ZCXKBVRDIFDNAQ-KAMWRABYSA-N |
| Mol Weight | 411.5 g/mol |
| Molecular Formula | C21H33NO7 |
| Exact Mass | 411.225702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDOl95nrN9h |
|---|---|
| Name | 5-(Ethoxy)-2-(1-normon-2-yl)oxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.225702400 u |
| Formula | C21H33NO7 |
| InChI | InChI=1S/C21H33NO7/c1-5-26-18-9-22-17(29-18)7-11(2)6-15-20(25)19(24)14(10-27-15)8-16-21(28-16)12(3)13(4)23/h7,9,12-16,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7+/t12-,13-,14-,15?,16-,19+,20-,21-/m0/s1 |
| InChIKey | ZCXKBVRDIFDNAQ-KAMWRABYSA-N |
| Molecular Weight | 411.495 g/mol |
| SMILES | [C@@]1(O[C@]1(C[C@@]1([C@]([C@@](O)(C(OC1)C\C(=C\C1=NC=C(O1)OCC)C)[H])(O)[H])[H])[H])([C@]([C@@](O)(C)[H])(C)[H])[H] |