John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JMnTOrV6lPj SpectraBase Spectrum ID=27T7oL6TL9a

(accessed ).
(3-S,4-S,5-R)-3,5-BIS-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-4-METHYLOCT-1-EN-7-YNE-2-YL-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID JMnTOrV6lPj
InChI InChI=1S/C22H41F3O5SSi2/c1-14-15-18(29-32(10,11)20(4,5)6)16(2)19(30-33(12,13)21(7,8)9)17(3)28-31(26,27)22(23,24)25/h1,16,18-19H,3,15H2,2,4-13H3/t16-,18+,19-/m0/s1
InChIKey UOCNJKUITKASQK-UHOSZYNNSA-N
Mol Weight 530.8 g/mol
Molecular Formula C22H41F3O5SSi2
Exact Mass 530.216538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27T7oL6TL9a
Name (3-S,4-S,5-R)-3,5-BIS-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-4-METHYLOCT-1-EN-7-YNE-2-YL-TRIFLUOROMETHANESULFONATE
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H41F3O5SSi2
InChI InChI=1S/C22H41F3O5SSi2/c1-14-15-18(29-32(10,11)20(4,5)6)16(2)19(30-33(12,13)21(7,8)9)17(3)28-31(26,27)22(23,24)25/h1,16,18-19H,3,15H2,2,4-13H3/t16-,18+,19-/m0/s1
InChIKey UOCNJKUITKASQK-UHOSZYNNSA-N
Literature Reference Author P.ANTONY,R.SIGUEEIRO,T.HUET,Y.SATO,N.RAMALANJAONA,L.C.RODRIG UES,A.MOURINO,D.MORA
Literature Reference Citation J.MED.CHEM.,53,1159(2010)
Literature Reference DOI 10.1021/jm9014636
Molecular Weight 530.791 g/mol
Solvent CDCl3
Source File Reference UWMZ46278
SpectraBase Batch ID 6kAdpsV6lR4