1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE(802-93-7) MS
Product Name1,3-BIS(2-HYDROXYHEXAFLUOROISOPROPYL)BENZENE
CAS802-93-7
Molecular FormulaC12H6F12O2
Molecular Weight410.16
InChIInChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
InChIKey PGUIOHNOYADLMU-UHFFFAOYSA-N
SmilesC(O)(C(F)(F)F)(C(F)(F)F)C1C=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=1
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MassMS-IW-2190 2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol) C12H6F12O2 (Mass of molecular ion: 410)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 1.6 50.0 2.6 51.0 3.1 52.0 2.2 66.0 16.1 66.5 1.5 69.0 33.2 75.0 2.6 76.0 4.0 77.0 7.1 78.0 1.5 91.0 2.5 91.5 1.1 95.0 1.7 97.0 7.2 101.0 3.1 102.0 1.9 104.0 2.4 105.0 14.1 106.0 1.5 107.0 1.2 119.0 1.1 123.0 3.6 125.0 1.2 126.0 1.3 127.0 7.7 136.0 1.3 137.0 1.9 138.0 1.2 139.0 1.0 145.0 7.7 147.0 2.6 154.0 2.2 156.0 1.2 157.0 2.8 173.0 2.8 174.0 1.8 175.0 4.8 177.0 2.9 185.0 2.0 187.0 1.2 195.0 4.0 201.0 3.5 205.0 5.3 207.0 5.2 223.0 7.9 225.0 1.0 227.0 5.0 235.0 1.3 243.0 2.9 253.0 1.7 254.0 2.8 271.0 100.0 272.0 11.6 273.0 2.5 275.0 1.9 293.0 2.2 323.0 7.1 324.0 1.2 341.0 94.1 342.0 11.5 343.0 1.6 353.0 10.9 354.0 1.4 371.0 3.0 373.0 7.7 374.0 1.1 410.0 15.5 411.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H6 F12 O2 0.05 ml : 0.5 ml CDCl3 2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol) 
Assign. Shift(ppm)
A 8.168 B 7.849 C 7.550 D 3.72
Hz ppm Int.3264.28 8.168 376 3141.85 7.862 397 3140.87 7.860 398 3132.69 7.839 465 3025.02 7.570 306 3024.54 7.568 348 3020.75 7.559 24 3016.72 7.549 529 3012.82 7.539 28 3008.91 7.529 241 3008.42 7.528 276 1485.11 3.717 1000
liquid film
