2,4,6-Tri-tert-butylphenol(732-26-3) IR1
Product Name2,4,6-Tri-tert-butylphenol
CAS732-26-3
Molecular FormulaC18H30O
Molecular Weight262.43
InChIInChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChIKey PFEFOYRSMXVNEL-UHFFFAOYSA-N
SmilesC1(O)=C(C(C)(C)C)C=C(C(C)(C)C)C=C1C(C)(C)C
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Parameter ppm Hz
D(A) 7.205 D(B) 5.02 D(C) 1.451 D(D) 1.303Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
151.34 195 1 141.39 240 2 134.94 400 3 121.82 480 4 34.54 565 5 6 31.72 500 7 30.43 1000 8Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: ESR : UV FLASH-PHOTOLYSIS IN HEXANE
