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FNAFDEWZOHCWQV-UHFFFAOYSA-J

View entire compound with spectra: 2 NMR

FNAFDEWZOHCWQV-UHFFFAOYSA-J
SpectraBase Compound ID HucWcNT1cEg
InChI InChI=1S/C48H32I4.4CHF3O3S/c1-17-41-18-2-33(1)34-3-19-43(20-4-34)50-44-23-7-37(8-24-44)38-11-27-47(28-12-38)52-48-31-15-40(16-32-48)39-13-29-46(30-14-39)51-45-25-9-36(10-26-45)35-5-21-42(49-41)22-6-35;4*2-1(3,4)8(5,6)7/h1-32H;4*(H,5,6,7)/q+4;;;;/p-4
InChIKey FNAFDEWZOHCWQV-UHFFFAOYSA-J
Mol Weight 1712.65 g/mol
Molecular Formula C52H32F12I4O12S4
Exact Mass 1711.676379 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MLuMmaxv4l
Name FNAFDEWZOHCWQV-UHFFFAOYSA-J
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H32F12I4O12S4
InChI InChI=1S/C48H32I4.4CHF3O3S/c1-17-41-18-2-33(1)34-3-19-43(20-4-34)50-44-23-7-37(8-24-44)38-11-27-47(28-12-38)52-48-31-15-40(16-32-48)39-13-29-46(30-14-39)51-45-25-9-36(10-26-45)35-5-21-42(49-41)22-6-35;4*2-1(3,4)8(5,6)7/h1-32H;4*(H,5,6,7)/q+4;;;;/p-4
InChIKey FNAFDEWZOHCWQV-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 DMSO-D6:CDCl3
Source File Reference UWMS26363