![H-UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-UB-OTCE](/api/spectrum/GEjN9fbmYpl/structure.png?h=300&w=458 "H-UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-UB-OTCE")
| SpectraBase Compound ID | 9HkicQnTDk6 |
|---|---|
| InChI | InChI=1S/C31H34Cl4F3NO7/c1-17(26-27(46-29(2,3)45-26)19-9-11-20(12-10-19)31(36,37)38)23(40)6-5-7-25(41)39-22(28(42)44-16-30(33,34)35)15-18-8-13-24(43-4)21(32)14-18/h5,7-14,17,22-23,26-27,40H,6,15-16H2,1-4H3,(H,39,41)/b7-5+/t17-,22+,23-,26+,27+/m0/s1 |
| InChIKey | QZSIFVMTLZWMHH-XJPUPGENSA-N |
| Mol Weight | 731.4 g/mol |
| Molecular Formula | C31H34Cl4F3NO7 |
| Exact Mass | 729.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GEjN9fbmYpl |
|---|---|
| Name | H-UA-[ACETONIDE]-C(4')-TRIFLUOROMETHYL-UB-OTCE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34Cl4F3NO7 |
| InChI | InChI=1S/C31H34Cl4F3NO7/c1-17(26-27(46-29(2,3)45-26)19-9-11-20(12-10-19)31(36,37)38)23(40)6-5-7-25(41)39-22(28(42)44-16-30(33,34)35)15-18-8-13-24(43-4)21(32)14-18/h5,7-14,17,22-23,26-27,40H,6,15-16H2,1-4H3,(H,39,41)/b7-5+/t17-,22+,23-,26+,27+/m0/s1 |
| InChIKey | QZSIFVMTLZWMHH-XJPUPGENSA-N |
| Literature Reference Author | C.WEIB,T.BOGNER,B.SAMMET,N.SEWALD |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,2060(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.231 |
| Molecular Weight | 731.421 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11288 |