| SpectraBase Compound ID | 1WHyFHNI3M7 |
|---|---|
| InChI | InChI=1S/C21H33NO6S/c1-5-29-18-9-22-17(28-18)7-11(2)6-15-20(25)19(24)14(10-26-15)8-16-21(27-16)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 | XAWQMJICGWLUOK-KAMWRABYSA-N |
| Mol Weight | 427.6 g/mol |
| Molecular Formula | C21H33NO6S |
| Exact Mass | 427.202859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7yhZVS2M4Pd |
|---|---|
| Name | 5-(Ethylthio)-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 | C21H33NO6S |
| InChI | InChI=1S/C21H33NO6S/c1-5-29-18-9-22-17(28-18)7-11(2)6-15-20(25)19(24)14(10-26-15)8-16-21(27-16)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 | XAWQMJICGWLUOK-KAMWRABYSA-N |
| Molecular Weight | 427.556 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)SCC)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-001i-0900100000-66b48a6aa60308a1f48f |
| Source of Spectrum | E1-39-455-2 |
| Wiley ID | 1598673 |