| SpectraBase Compound ID | 9NYLuTJIRbj |
|---|---|
| InChI | InChI=1S/C21H33NO6/c1-5-15-9-22-18(27-15)7-11(2)6-16-20(25)19(24)14(10-26-16)8-17-21(28-17)12(3)13(4)23/h7,9,12-14,16-17,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7+/t12-,13-,14-,16?,17-,19+,20-,21-/m0/s1 |
| InChIKey | LCJQPMHPUSBDQB-MWZHLRMGSA-N |
| Mol Weight | 395.5 g/mol |
| Molecular Formula | C21H33NO6 |
| Exact Mass | 395.230788 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KUJYeC7flKI |
|---|---|
| Name | 5-Ethyl-2-(1-normon-2-yl)oxazole |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33NO6 |
| InChI | InChI=1S/C21H33NO6/c1-5-15-9-22-18(27-15)7-11(2)6-16-20(25)19(24)14(10-26-16)8-17-21(28-17)12(3)13(4)23/h7,9,12-14,16-17,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7+/t12-,13-,14-,16?,17-,19+,20-,21-/m0/s1 |
| InChIKey | LCJQPMHPUSBDQB-MWZHLRMGSA-N |
| Molecular Weight | 395.496 g/mol |
| SMILES | O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(COC([C@@]([C@@]1(O)[H])(O)[H])C\C(=C\c1ncc(o1)CC)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-0udi-0900000000-7ec537d322eee93f8319 |
| Source of Spectrum | E1-39-450-2 |
| Wiley ID | 1598696 |