![(RS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-3'-methylbutyl]thiourea](/api/spectrum/92sM3LSGDfL/structure.png?h=300&w=458 "(RS,SC)-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[1'-(S-methyl-S-phenylsulfonimidoylmethyl)-3'-methylbutyl]thiourea")
| SpectraBase Compound ID | HUEmZJiDrMh |
|---|---|
| InChI | InChI=1S/C22H25F6N3OS2/c1-14(2)9-18(13-29-34(3,32)19-7-5-4-6-8-19)31-20(33)30-17-11-15(21(23,24)25)10-16(12-17)22(26,27)28/h4-8,10-12,14,18H,9,13H2,1-3H3,(H2,30,31,33)/t18-,34?/m0/s1 |
| InChIKey | WTCAEJLCHYSTHY-HHVMLXBWSA-N |
| Mol Weight | 525.57 g/mol |
| Molecular Formula | C22H25F6N3OS2 |
| Exact Mass | 525.134324 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92sM3LSGDfL |
|---|---|
| Name | [R(S),S(C)]-N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-N'-[1'-(S-METHYL-S-PHENYL-SULFONIMIDOYL-METHYL)-3'-METHYLBUTYL]-THIOUREA |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25F6N3OS2 |
| InChI | InChI=1S/C22H25F6N3OS2/c1-14(2)9-18(13-29-34(3,32)19-7-5-4-6-8-19)31-20(33)30-17-11-15(21(23,24)25)10-16(12-17)22(26,27)28/h4-8,10-12,14,18H,9,13H2,1-3H3,(H2,30,31,33)/t18-,34?/m0/s1 |
| InChIKey | WTCAEJLCHYSTHY-HHVMLXBWSA-N |
| Literature Reference Author | M.FRINGS,I.THOME,C.BOLM |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1443(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.164 |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR11307 |