4-Hexyloxybenzoic acid(1142-39-8) IR1
Product Name4-Hexyloxybenzoic acid
CAS1142-39-8
Molecular FormulaC13H18O3
Molecular Weight222.28
InChIInChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChIKey HBQUXMZZODHFMJ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OCCCCCC)C=C1
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MassMS2003-01615WA p-hexyloxybenzoic acid C13H18O3 (Mass of molecular ion: 222)
Source Temperature: 250 °C Sample Temperature: 270 °C Reservoir, 70 eV
27.0 3.0 29.0 4.1 39.0 3.9 41.0 9.1 42.0 2.8 43.0 23.5 44.0 1.1 51.0 1.1 53.0 1.4 55.0 7.3 56.0 4.1 57.0 3.1 63.0 1.4 64.0 1.0 65.0 7.1 69.0 3.5 76.0 1.3 77.0 1.3 81.0 2.1 84.0 4.5 85.0 2.6 92.0 1.0 93.0 2.8 95.0 1.7 121.0 28.1 122.0 2.3 138.0 100.0 139.0 22.9 140.0 2.1 151.0 2.4 222.0 25.3 223.0 3.7
KBr disc
nujol mull
