367-23-7

1,2,4-三氟苯(367-23-7)Raman光谱

产品名称:1,2,4-三氟苯

CAS:367-23-7

分子式:C6H3F3

分子量: 132.08

InChI:InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey: PEBWOGPSYUIOBP-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(F)C=C1F

¹HNMR

Raman

parameter in TMS+OCTAFLUOROCYCLOBUTANE

¹H NMR	300 MHz
C₆ H₃ F₃	70 vol% in trifluorobenzene
1,2,4-trifluorobenzene

    Parameter     ppm  Hz

      D(A)         6.807
      D(B)         6.715
      D(C)         7.019
      D(X)        -9.164
      D(Y)         7.234
      D(Z)        18.760
       J(A,B)          3.05
       J(A,C)          0.37
       J(A,X)          6.31
       J(A,Y)         10.54
       J(A,Z)          8.32
       J(B,C)          9.23
       J(B,X)          3.27
       J(B,Y)         -2.03
       J(B,Z)          7.77
       J(C,X)          9.94
       J(C,Y)          8.88
       J(C,Z)          5.07
       J(X,Y)        -20.01
       J(X,Z)         15.04
       J(Y,Z)          3.14
     
     LUSTIG,E. ET AL. J.CHEM.PHYS. 51, 1839 (1969)
     F-19 REFERENCE : OCTAFLUOROCYCLOBUTANE

     Hz     ppm     Int.

   2122.46   7.075    380
   2117.18   7.057    441
   2113.22   7.044   1000
   2108.10   7.027    912
   2103.74   7.012    958
   2098.80   6.996    863
   2094.43   6.981    529
   2089.35   6.964    515
   2056.24   6.854    391
   2053.25   6.844    473
   2049.93   6.833    476
   2047.78   6.826    553
   2046.89   6.823    622
   2045.51   6.818    622
   2045.04   6.817    608
   2042.52   6.808    544
   2041.68   6.806    545
   2039.33   6.798    589
   2038.63   6.795    601
   2037.29   6.791    586
   2036.40   6.788    611
   2034.32   6.781    474
   2031.10   6.770    466
   2028.00   6.760    559
   2027.24   6.757    395
   2024.81   6.749    436
   2024.06   6.747    483
   2021.71   6.739    606
   2020.61   6.735    418
   2019.38   6.731    411
   2018.57   6.729    480
   2017.93   6.726    497
   2017.43   6.725    479
   2015.79   6.719    718
   2014.29   6.714    914
   2012.63   6.709    716
   2011.15   6.704    558
   2010.19   6.701    413
   2009.33   6.698    342
   2008.14   6.694    368
   2007.07   6.690    421
   2006.62   6.689    416
   2004.99   6.683    536
   2003.53   6.678    265
   2001.83   6.673    289