3,5-Difluorophenol(2713-34-0) Raman
Product Name3,5-Difluorophenol
CAS2713-34-0
Molecular FormulaC6H4F2O
Molecular Weight130.09
InChIInChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey HJSSBIMVTMYKPD-UHFFFAOYSA-N
SmilesC1(O)=CC(F)=CC(F)=C1
-
MassMS-KW-0176 3,5-difluorophenol C6H4F2O (Mass of molecular ion: 130)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.6 29.0 1.2 31.0 5.4 37.0 1.9 38.0 2.3 39.0 1.1 50.0 3.0 51.0 8.6 52.0 4.1 53.0 1.2 55.0 1.2 56.0 2.7 57.0 7.8 61.0 2.6 62.0 3.0 63.0 7.9 65.0 4.7 68.0 1.4 71.0 1.1 73.0 1.1 75.0 5.8 76.0 3.1 80.0 1.0 81.0 8.4 82.0 17.1 83.0 4.5 99.0 2.2 100.0 1.6 101.0 32.9 102.0 34.3 103.0 1.9 112.0 2.0 113.0 1.0 129.0 2.0 130.0 100.0 131.0 6.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H4 F2 O 0.038 g : 0.5 ml CDCl3 3,5-difluorophenol 
Assign. Shift(ppm)
A 6.42 B 6.38 C 5.29
Hz ppm Int.2575.56 6.445 136 2573.36 6.440 248 2571.17 6.434 199 2569.09 6.429 35 2566.53 6.422 234 2564.33 6.417 544 2562.13 6.411 450 2557.37 6.400 173 2556.64 6.398 156 2554.93 6.393 873 2552.73 6.388 675 2549.07 6.379 36 2546.39 6.372 743 2544.43 6.367 422 2541.50 6.360 24 2114.01 5.290 1000
in CDCl3
KBr disk
