3,5-Bis(trifluoromethyl)benzyl alcohol(32707-89-4) IR2
Product Name3,5-Bis(trifluoromethyl)benzyl alcohol
CAS32707-89-4
Molecular FormulaC9H6F6O
Molecular Weight244.13
InChIInChI=1S/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2
InChIKey BJTWPJOGDWRYDD-UHFFFAOYSA-N
SmilesC1(CO)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
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MassMS-IW-8114 3,5-bis(trifluoromethyl)benzyl alcohol C9H6F6O (Mass of molecular ion: 244)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 7.8 30.0 1.1 31.0 6.1 39.0 1.3 50.0 2.1 51.0 2.7 57.0 1.8 62.0 1.4 63.0 2.2 69.0 9.4 74.0 2.3 75.0 7.5 77.0 2.6 78.0 1.4 81.0 1.3 87.0 1.9 88.0 2.8 93.0 1.1 94.0 1.1 95.0 2.7 96.0 1.1 99.0 2.5 101.0 1.2 107.0 1.9 112.0 2.2 119.0 1.2 125.0 5.3 126.0 2.3 127.0 47.2 128.0 3.8 132.0 1.0 137.0 1.8 138.0 2.2 143.0 3.6 144.0 5.2 145.0 15.8 146.0 2.2 147.0 10.8 155.0 19.5 156.0 3.1 157.0 2.5 158.0 2.4 163.0 5.2 164.0 1.8 173.0 1.7 175.0 59.8 176.0 9.6 177.0 5.7 187.0 3.2 190.0 1.1 193.0 1.0 194.0 4.2 195.0 100.0 196.0 26.7 197.0 1.9 205.0 1.5 206.0 1.0 207.0 1.5 208.0 1.2 213.0 11.9 214.0 3.5 215.0 4.9 216.0 1.7 223.0 6.1 224.0 5.4 225.0 43.3 226.0 6.5 227.0 10.2 228.0 1.1 241.0 5.7 243.0 16.4 244.0 53.2 245.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H6 F6 O 0.039 g : 0.5 ml CDCl3 3,5-bis(trifluoromethyl)benzyl alcohol 
Assign. Shift(ppm)
A 7.827 B 7.801 C 4.840 D 2.21
Hz ppm Int.3128.30 7.828 684 3117.80 7.802 305 1934.33 4.841 1000 881.96 2.207 40
in CDCl3
KBr disc
nujol mull
