4-(4-BROMOPHENYL)BUTANOIC ACID(35656-89-4) MS
Product Name4-(4-BROMOPHENYL)BUTANOIC ACID
CAS35656-89-4
Molecular FormulaC10H11BrO2
Molecular Weight243.1
InChIInChI=1S/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKey AGIIMNQWNPUJPT-UHFFFAOYSA-N
SmilesC1(CCCC(O)=O)=CC=C(Br)C=C1
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MassMS2008-03746CW 4-(p-bromophenyl)butyric acid C10H11BrO2 (Mass of molecular ion: 242)
Source Temperature: 250 °C Sample Temperature: 25 °C Direct, 70 eV
17.0 1.2 18.0 5.8 27.0 1.3 39.0 3.8 41.0 1.5 45.0 1.4 50.0 2.4 51.0 3.8 57.5 1.1 58.0 2.1 60.0 6.0 62.0 1.5 63.0 5.1 64.0 1.8 65.0 1.9 74.0 1.1 75.0 1.9 76.0 1.6 77.0 6.4 78.0 1.8 89.0 11.9 90.0 18.9 91.0 6.1 102.0 2.3 103.0 10.2 104.0 6.8 105.0 1.8 115.0 5.9 116.0 3.6 117.0 6.6 118.0 2.0 169.0 34.3 170.0 2.7 171.0 33.4 172.0 2.7 182.0 100.0 183.0 14.2 184.0 97.7 185.0 13.6 224.0 1.1 226.0 1.1 242.0 25.9 243.0 2.8 244.0 25.3 245.0 2.8
KBr disc
nujol mull
