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LEZGVTOJSIGIJV-MSFZATEISA-N

View entire compound with spectra: 1 NMR

LEZGVTOJSIGIJV-MSFZATEISA-N
SpectraBase Compound ID 13Fc4Znb7Vr
InChI InChI=1S/C48H27Br2F9N4O3S/c49-40-41(50)44-39(29-19-11-4-12-20-29)34-24-23-32(61-34)37(27-15-7-2-8-16-27)42-30(45(51,52)46(53,54)66-47(55,56)48(57,58)67(59,64)65)25-35(62-42)36(26-13-5-1-6-14-26)31-21-22-33(60-31)38(43(40)63-44)28-17-9-3-10-18-28/h1-25,60-61H/b36-31-,36-35-,37-32-,38-33-,39-34-,42-37-,43-38-,44-39-
InChIKey LEZGVTOJSIGIJV-MSFZATEISA-N
Mol Weight 1070.6 g/mol
Molecular Formula C48H27Br2F9N4O3S
Exact Mass 1068.002691 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vnSJFbrFQv
Name LEZGVTOJSIGIJV-MSFZATEISA-N
Compound Number 5AD2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H27Br2F9N4O3S
InChI InChI=1S/C48H27Br2F9N4O3S/c49-40-41(50)44-39(29-19-11-4-12-20-29)34-24-23-32(61-34)37(27-15-7-2-8-16-27)42-30(45(51,52)46(53,54)66-47(55,56)48(57,58)67(59,64)65)25-35(62-42)36(26-13-5-1-6-14-26)31-21-22-33(60-31)38(43(40)63-44)28-17-9-3-10-18-28/h1-25,60-61H/b36-31-,36-35-,37-32-,38-33-,39-34-,42-37-,43-38-,44-39-
InChIKey LEZGVTOJSIGIJV-MSFZATEISA-N
Literature Reference Author L.M.JIN,Z.ZENG,C.C.GUO,Q.Y.CHEN
Literature Reference Citation J.ORG.CHEM.,68,3912(2003)
Literature Reference DOI 10.1021/jo0207269
Solvent CDCl3
Source File Reference UWLU23262