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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

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