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BIS{5-tert-BUTYL-4-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)OXY]-o-TOLYL}SULFIDE
SpectraBase Compound ID 8e7bxrw4ibj
InChI InChI=1S/C36H34F6N2O6S/c1-19-13-29(49-27-11-9-21(35(37,38)39)15-25(27)43(45)46)23(33(3,4)5)17-31(19)51-32-18-24(34(6,7)8)30(14-20(32)2)50-28-12-10-22(36(40,41)42)16-26(28)44(47)48/h9-18H,1-8H3
InChIKey TXGYRXZOYZNSTR-UHFFFAOYSA-N
Mol Weight 736.7 g/mol
Molecular Formula C36H34F6N2O6S
Exact Mass 736.204177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqNCfDVbIgy
Name BIS{5-tert-BUTYL-4-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)OXY]-o-TOLYL} SULFIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H34F6N2O6S
InChI InChI=1S/C36H34F6N2O6S/c1-19-13-29(49-27-11-9-21(35(37,38)39)15-25(27)43(45)46)23(33(3,4)5)17-31(19)51-32-18-24(34(6,7)8)30(14-20(32)2)50-28-12-10-22(36(40,41)42)16-26(28)44(47)48/h9-18H,1-8H3
InChIKey TXGYRXZOYZNSTR-UHFFFAOYSA-N
Melting Point 138-140C
Molecular Weight 736.74
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms SULFIDE, BIS{5-tert-BUTYL-4-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)OXY]o-TOLYL},