| SpectraBase Compound ID | 9LgpxBabw6w |
|---|---|
| InChI | InChI=1S/C25H33NO6S/c1-14(10-21-26-12-22(32-21)33-18-7-5-4-6-8-18)9-19-24(29)23(28)17(13-30-19)11-20-25(31-20)15(2)16(3)27/h4-8,10,12,15-17,19-20,23-25,27-29H,9,11,13H2,1-3H3/b14-10+/t15-,16-,17-,19?,20-,23+,24-,25-/m0/s1 |
| InChIKey | UMMXJUWPWUYEOW-QUPUJIGNSA-N |
| Mol Weight | 475.6 g/mol |
| Molecular Formula | C25H33NO6S |
| Exact Mass | 475.202859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IUs0W2q9IUj |
|---|---|
| Name | 5-(Phenylthio)-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 | C25H33NO6S |
| InChI | InChI=1S/C25H33NO6S/c1-14(10-21-26-12-22(32-21)33-18-7-5-4-6-8-18)9-19-24(29)23(28)17(13-30-19)11-20-25(31-20)15(2)16(3)27/h4-8,10,12,15-17,19-20,23-25,27-29H,9,11,13H2,1-3H3/b14-10+/t15-,16-,17-,19?,20-,23+,24-,25-/m0/s1 |
| InChIKey | UMMXJUWPWUYEOW-QUPUJIGNSA-N |
| Molecular Weight | 475.600 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(Sc2ccccc2)cn1)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-001i-0090300000-e9be2dba21fe3986b833 |
| Source of Spectrum | E1-39-455-2 |
| Wiley ID | 1598672 |