3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE(1988-88-1) MS
Product Name3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE
CAS1988-88-1
Molecular FormulaC15H21NO
Molecular Weight231.33
InChIInChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3
InChIKey AKXIIOLURNATOC-UHFFFAOYSA-N
SmilesC(#N)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
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MassMS-IW-6125 3,5-di-tert-butyl-4-hydroxybenzonitrile C15H21NO (Mass of molecular ion: 231)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
29.0 1.5 39.0 1.2 41.0 3.7 55.0 1.5 57.0 5.4 77.0 1.2 85.5 2.3 86.5 4.2 100.0 1.0 100.5 2.6 115.0 1.5 116.0 1.9 128.0 1.0 130.0 1.2 140.0 1.1 144.0 1.7 156.0 3.6 158.0 1.5 160.0 3.5 172.0 4.7 174.0 1.0 188.0 20.5 189.0 2.9 200.0 2.6 216.0 100.0 217.0 15.8 218.0 1.4 231.0 21.0 232.0 4.2
KBr disc
nujol mull
