| SpectraBase Compound ID | Hknopc7J3IY |
|---|---|
| InChI | InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22?,23?,24+,25+/m1/s1 |
| InChIKey | WMWTYOKRWGGJOA-JUCJXFEYSA-N |
| Mol Weight | 500.57 g/mol |
| Molecular Formula | C25H31F3O5S |
| Exact Mass | 500.18443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1n5GzcoETJF |
|---|---|
| Name | WMWTYOKRWGGJOA-JUCJXFEYSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31F3O5S |
| InChI | InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22?,23?,24+,25+/m1/s1 |
| InChIKey | WMWTYOKRWGGJOA-JUCJXFEYSA-N |
| Literature Reference Author | K.A.M.AMPT,R.L.E.G.ASPERS,M.JAEGER,P.E.T.J.GEUJES,M.HONING,S .S.WIJMENGA |
| Literature Reference Citation | MAGN.RES.CHEM.,49,221(2011) |
| Literature Reference DOI | 10.1002/mrc.2737 |
| Molecular Weight | 500.573 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT13235 |