3-(4-Chlorophenyl)glutaric acid (35271-74-0) 1H NMR
Product Name3-(4-Chlorophenyl)glutaric acid
CAS35271-74-0
Molecular FormulaC11H11ClO4
Molecular Weight242.66
InChIInChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChIKey URXVLIVRJJNJII-UHFFFAOYSA-N
SmilesC(O)(=O)CC(C1=CC=C(Cl)C=C1)CC(O)=O
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MassMS-IW-0420 3-(p-chlorophenyl)glutaric acid C11H11ClO4 (Mass of molecular ion: 242)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.2 27.0 1.4 28.0 1.5 39.0 3.2 41.0 2.0 43.0 5.8 44.0 1.9 45.0 2.8 50.0 2.5 51.0 5.4 55.0 1.1 56.0 1.0 57.0 1.3 57.5 1.1 58.0 1.2 63.0 2.3 65.0 1.4 74.0 1.5 75.0 5.9 76.0 1.9 77.0 19.7 78.0 2.4 82.0 2.5 85.0 1.1 89.0 2.5 91.0 4.7 99.0 1.0 101.0 5.4 102.0 6.8 103.0 22.3 104.0 3.3 105.0 1.8 111.0 1.4 112.0 4.7 113.0 7.2 114.0 2.3 115.0 9.2 116.0 4.1 117.0 2.2 125.0 4.3 126.0 5.7 127.0 2.1 128.0 2.2 133.0 16.4 134.0 1.9 137.0 5.3 138.0 24.4 139.0 8.4 140.0 8.7 141.0 42.5 142.0 3.4 143.0 13.5 144.0 1.4 151.0 1.7 165.0 5.0 167.0 2.5 168.0 45.0 169.0 4.9 170.0 15.0 171.0 1.7 181.0 1.3 182.0 1.7 183.0 3.3 185.0 1.0 196.0 100.0 197.0 11.2 198.0 33.4 199.0 3.7 224.0 23.6 225.0 4.0 226.0 8.1 227.0 1.3 242.0 13.0 243.0 1.8 244.0 4.5
KBr disc
nujol mull
