1,1,1,3,3,3-HEXAFLUORO-2-PHENYL-2-PROPANOL(718-64-9) IR1
Product Name1,1,1,3,3,3-HEXAFLUORO-2-PHENYL-2-PROPANOL
CAS718-64-9
Molecular FormulaC9H6F6O
Molecular Weight244.13
InChIInChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H
InChIKey IZPIZCAYJQCTNG-UHFFFAOYSA-N
SmilesC(O)(C(F)(F)F)(C(F)(F)F)C1=CC=CC=C1
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MassMS-IW-2214 alpha,alpha-bis(trifluoromethyl)benzyl alcohol C9H6F6O (Mass of molecular ion: 244)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.1 38.0 1.3 39.0 2.3 50.0 6.2 51.0 12.6 52.0 1.9 52.5 1.2 62.0 1.0 63.0 1.5 69.0 21.8 74.0 1.9 75.0 2.3 76.0 1.9 77.0 30.6 78.0 8.2 95.0 1.0 96.0 1.1 97.0 2.4 105.0 100.0 106.0 8.0 107.0 1.4 125.0 1.1 127.0 14.7 128.0 1.1 139.0 1.3 145.0 2.0 175.0 74.9 176.0 6.7 177.0 3.8 205.0 7.3 244.0 36.7 245.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H6 F6 O 0.05 ml : 0.5 ml CDCl3 alpha,alpha-bis(trifluoromethyl)benzyl alcohol 
Assign. Shift(ppm)
A 7.72 B 7.45 C 7.43 D 3.59
Hz ppm Int.3091.31 7.736 286 3090.58 7.734 330 3089.84 7.732 339 3089.11 7.730 312 3086.67 7.724 227 3085.82 7.722 247 3084.96 7.720 280 3084.23 7.718 308 3083.50 7.716 313 3082.15 7.713 334 3081.54 7.711 346 2986.69 7.474 43 2984.86 7.469 51 2980.35 7.458 159 2978.64 7.454 243 2978.03 7.452 252 2975.34 7.445 1000 2974.00 7.442 829 2973.02 7.440 690 2971.07 7.435 358 2969.73 7.431 334 2969.24 7.430 319 2968.02 7.427 507 2967.53 7.426 514 2964.72 7.419 136 2964.11 7.417 122 2962.89 7.414 188 2960.57 7.408 71 2958.74 7.404 99 1434.08 3.589 572
in CDCl3
liquid film
