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BGVVLTXVERARFX-UHFFFAOYSA-J

View entire compound with spectra: 2 NMR

BGVVLTXVERARFX-UHFFFAOYSA-J
SpectraBase Compound ID 1wiPOqimLA7
InChI InChI=1S/C51H38I4.4CHF3O3S/c1-51(2)41-15-31-49(32-16-41)54-47-27-11-39(12-28-47)37-7-23-45(24-8-37)52-43-19-3-35(4-20-43)36-5-21-44(22-6-36)53-46-25-9-38(10-26-46)40-13-29-48(30-14-40)55-50-33-17-42(51)18-34-50;4*2-1(3,4)8(5,6)7/h3-34H,1-2H3;4*(H,5,6,7)/q+4;;;;/p-4
InChIKey BGVVLTXVERARFX-UHFFFAOYSA-J
Mol Weight 1754.74 g/mol
Molecular Formula C55H38F12I4O12S4
Exact Mass 1753.723329 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36NpnjBwpXf
Name BGVVLTXVERARFX-UHFFFAOYSA-J
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H38F12I4O12S4
InChI InChI=1S/C51H38I4.4CHF3O3S/c1-51(2)41-15-31-49(32-16-41)54-47-27-11-39(12-28-47)37-7-23-45(24-8-37)52-43-19-3-35(4-20-43)36-5-21-44(22-6-36)53-46-25-9-38(10-26-46)40-13-29-48(30-14-40)55-50-33-17-42(51)18-34-50;4*2-1(3,4)8(5,6)7/h3-34H,1-2H3;4*(H,5,6,7)/q+4;;;;/p-4
InChIKey BGVVLTXVERARFX-UHFFFAOYSA-J
Literature Reference Author U.RADHAKRISHNAN,P.J.STANG
Literature Reference Citation J.ORG.CHEM.,68,9209(2003)
Literature Reference DOI 10.1021/jo030246x
Solvent CD3OD
Source File Reference UWMS26364