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PJMLPBMNCBTWHL-UHFFFAOYSA-N
SpectraBase Compound ID 9LKnxUvQvCA
InChI InChI=1S/2C28H31F3N4O9S/c2*1-3-14-44-27(38)32-10-6-12-33(26(37)28(29,30)31)18-20-15-21(17-22(16-20)25(36)43-2)19-34(13-7-11-32)45(41,42)24-9-5-4-8-23(24)35(39)40/h2*3-5,8-9,15-17H,1,6-7,10-14,18-19H2,2H3
InChIKey PJMLPBMNCBTWHL-UHFFFAOYSA-N
Mol Weight 1313.26 g/mol
Molecular Formula C56H62F6N8O18S2
Exact Mass 1312.352768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16fMMt1S5aC
Name PJMLPBMNCBTWHL-UHFFFAOYSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H62F6N8O18S2
InChI InChI=1S/2C28H31F3N4O9S/c2*1-3-14-44-27(38)32-10-6-12-33(26(37)28(29,30)31)18-20-15-21(17-22(16-20)25(36)43-2)19-34(13-7-11-32)45(41,42)24-9-5-4-8-23(24)35(39)40/h2*3-5,8-9,15-17H,1,6-7,10-14,18-19H2,2H3
InChIKey PJMLPBMNCBTWHL-UHFFFAOYSA-N
Literature Reference Author T.OPATZ,R.M.J.LISKAMP
Literature Reference Citation ORG.LETTERS,3,3499(2001)
Literature Reference DOI 10.1021/ol0101741
Molecular Weight 1313.261 g/mol
Solvent CDCl3
Source File Reference UWLU35789