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ROHKJGMMGALLHR-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

ROHKJGMMGALLHR-UHFFFAOYSA-N
SpectraBase Compound ID 5VcZPdbjcuh
InChI InChI=1S/C72H72N.F2H/c1-69(2,3)53-33-51(34-54(39-53)70(4,5)6)61-37-47-23-15-19-27-59(47)67-63(61)43-73(41-49-31-29-45-21-13-17-25-57(45)65(49)66-50(42-73)32-30-46-22-14-18-26-58(46)66)44-64-62(38-48-24-16-20-28-60(48)68(64)67)52-35-55(71(7,8)9)40-56(36-52)72(10,11)12;1-2/h13-40H,41-44H2,1-12H3;1H/q+1;-1
InChIKey ROHKJGMMGALLHR-UHFFFAOYSA-N
Mol Weight 990.4 g/mol
Molecular Formula C72H73F2N
Exact Mass 989.571108 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1awHBRI6N37
Name ROHKJGMMGALLHR-UHFFFAOYSA-N
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H73F2N
InChI InChI=1S/C72H72N.F2H/c1-69(2,3)53-33-51(34-54(39-53)70(4,5)6)61-37-47-23-15-19-27-59(47)67-63(61)43-73(41-49-31-29-45-21-13-17-25-57(45)65(49)66-50(42-73)32-30-46-22-14-18-26-58(46)66)44-64-62(38-48-24-16-20-28-60(48)68(64)67)52-35-55(71(7,8)9)40-56(36-52)72(10,11)12;1-2/h13-40H,41-44H2,1-12H3;1H/q+1;-1
InChIKey ROHKJGMMGALLHR-UHFFFAOYSA-N
Literature Reference Author T.OOI,K.DODA,K.MARUOKA
Literature Reference Citation J.AM.CHEM.SOC.,125,9022(2003)
Literature Reference DOI 10.1021/ja0352810
Solvent CDCl3
Source File Reference UWLU41802