| SpectraBase Compound ID | KpXR7RFDFDM |
|---|---|
| InChI | InChI=1S/C23H35NO6S2/c1-12(8-19-24-10-18(29-19)23-31-5-4-6-32-23)7-16-21(27)20(26)15(11-28-16)9-17-22(30-17)13(2)14(3)25/h8,10,13-17,20-23,25-27H,4-7,9,11H2,1-3H3/b12-8+/t13-,14-,15-,16?,17-,20+,21-,22-/m0/s1 |
| InChIKey | YFZPUQSRFZDCMX-SKHQLAEQSA-N |
| Mol Weight | 485.7 g/mol |
| Molecular Formula | C23H35NO6S2 |
| Exact Mass | 485.19058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BDChZ6B8CM6 |
|---|---|
| Name | 5-(1,3-Dithian-2-yl)-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 | C23H35NO6S2 |
| InChI | InChI=1S/C23H35NO6S2/c1-12(8-19-24-10-18(29-19)23-31-5-4-6-32-23)7-16-21(27)20(26)15(11-28-16)9-17-22(30-17)13(2)14(3)25/h8,10,13-17,20-23,25-27H,4-7,9,11H2,1-3H3/b12-8+/t13-,14-,15-,16?,17-,20+,21-,22-/m0/s1 |
| InChIKey | YFZPUQSRFZDCMX-SKHQLAEQSA-N |
| Molecular Weight | 485.654 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\c1oc(C2SCCCS2)cn1)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-000f-0090800000-715af690a58090382d41 |
| Source of Spectrum | E1-39-452-2 |
| Wiley ID | 1598686 |