3,5-Di-tert-butyl-4-hydroxybenzoic acid(1421-49-4) IR2
Product Name3,5-Di-tert-butyl-4-hydroxybenzoic acid
CAS1421-49-4
Molecular FormulaC15H22O3
Molecular Weight250.33
InChIInChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
InChIKey YEXOWHQZWLCHHD-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
-
MassMS-IW-7688 3,5-di-tert-butyl-4-hydroxybenzoic acid C15H22O3 (Mass of molecular ion: 250)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
29.0 1.2 41.0 2.8 55.0 1.7 57.0 6.0 77.0 1.1 87.0 1.5 91.0 2.2 96.0 4.0 107.0 1.1 110.0 2.3 115.0 1.6 117.0 1.0 128.0 1.0 131.0 1.2 175.0 3.8 179.0 2.1 191.0 3.0 205.0 1.1 207.0 15.0 208.0 2.0 219.0 2.6 235.0 100.0 236.0 15.5 237.0 1.7 250.0 23.4 251.0 4.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H22 O3 0.042 g : 0.5 ml CDCl3 3,5-di-tert-butyl-4-hydroxybenzoic acid 
Assign. Shift(ppm)
A 7.987 B 5.71 C 1.473
Hz ppm Int.3192.02 7.988 113 588.62 1.473 1000
in CDCl3
KBr disc
nujol mull
