3,5-Di-tert-butylbenzoic acid(16225-26-6) IR2
Product Name3,5-Di-tert-butylbenzoic acid
CAS16225-26-6
Molecular FormulaC15H22O2
Molecular Weight234.33
InChIInChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)
InChIKey NCTSLPBQVXUAHR-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1
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MassMS-KW-0795 3,5-di-tert-butylbenzoic acid C15H22O2 (Mass of molecular ion: 234)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.2 29.0 3.8 39.0 1.4 41.0 8.0 55.0 1.4 57.0 26.5 58.0 1.3 64.0 1.3 77.0 1.5 78.0 2.8 79.0 2.4 87.0 2.2 88.0 3.9 91.0 4.6 101.5 1.9 102.0 4.5 105.0 1.4 115.0 1.8 117.0 1.5 119.0 1.5 128.0 1.2 129.0 1.0 131.0 1.1 145.0 1.2 163.0 2.3 191.0 6.0 203.0 1.0 219.0 100.0 220.0 15.5 221.0 1.5 234.0 12.6 235.0 2.1
in CDCl3
in CDCl3
KBr disk
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