![H-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-OTCE](/api/spectrum/CmBSXyDlWTK/structure.png?h=300&w=458 "H-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-OTCE")
| SpectraBase Compound ID | LwT7OBObxP1 |
|---|---|
| InChI | InChI=1S/C29H29Cl3F5NO6/c1-14(25-26(44-28(2,3)43-25)15-8-5-4-6-9-15)18(39)10-7-11-19(40)38-17(27(41)42-13-29(30,31)32)12-16-20(33)22(35)24(37)23(36)21(16)34/h4-9,11,14,17-18,25-26,39H,10,12-13H2,1-3H3,(H,38,40)/b11-7+/t14-,17+,18-,25+,26+/m0/s1 |
| InChIKey | FDJSHGFKPYIZOE-XRWONPOUSA-N |
| Mol Weight | 688.9 g/mol |
| Molecular Formula | C29H29Cl3F5NO6 |
| Exact Mass | 687.098062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmBSXyDlWTK |
|---|---|
| Name | H-UA-[ACETONIDE]-UB-PENTAFLUOROPHENYL-OTCE |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H29Cl3F5NO6 |
| InChI | InChI=1S/C29H29Cl3F5NO6/c1-14(25-26(44-28(2,3)43-25)15-8-5-4-6-9-15)18(39)10-7-11-19(40)38-17(27(41)42-13-29(30,31)32)12-16-20(33)22(35)24(37)23(36)21(16)34/h4-9,11,14,17-18,25-26,39H,10,12-13H2,1-3H3,(H,38,40)/b11-7+/t14-,17+,18-,25+,26+/m0/s1 |
| InChIKey | FDJSHGFKPYIZOE-XRWONPOUSA-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 | 688.903 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11294 |