1570-64-5

4-氯-2-甲基苯酚(1570-64-5)Raman光譜

產(chǎn)品名稱:4-氯-2-甲基苯酚

CAS:1570-64-5

分子式:C7H7ClO

分子量: 142.58

InChI:InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey: RHPUJHQBPORFGV-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(Cl)C=C1C

Mass

MS-NW-1833          
4-chloro-o-cresol
C7H7ClO             (Mass of molecular ion:    142)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0       5.4
      29.0       1.3
      37.0       2.6
      38.0       6.0
      38.5       1.4
      39.0      11.7
      43.0       1.5
      44.0       1.5
      49.0       1.3
      50.0       8.3
      51.0      19.4
      52.0       5.3
      53.0       8.3
      55.0       1.5
      61.0       1.9
      62.0       3.0
      63.0       5.8
      71.0       2.5
      72.0       1.0
      73.0       3.1
      74.0       3.0
      75.0       3.1
      76.0       1.1
      77.0      41.9
      78.0       8.1
      79.0      17.4
      80.0       1.2
      87.0       1.1
      89.0      11.8
      90.0       1.0
     105.0       1.1
     107.0      95.8
     108.0       7.5
     113.0       3.2
     115.0       1.1
     124.0       3.6
     125.0       1.4
     126.0       1.2
     141.0      12.2
     142.0     100.0
     143.0      11.1
     144.0      32.2
     145.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ Cl O	0.044 g : 0.5 ml CDCl₃
4-chloro-o-cresol

    Assign.     Shift(ppm)

      A             7.07
      B             7.03
      C             6.674
      D             4.79
      E             2.201
     
     A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    636.75   7.110     41
    635.94   7.101     76
    635.00   7.091     99
    634.19   7.082    235
    633.44   7.073    314
    632.63   7.064    204
    625.75   6.987    141
    625.13   6.981    142
    623.13   6.958     96
    622.56   6.952     95
    603.31   6.737     32
    601.31   6.715    156
    600.94   6.710    171
    600.44   6.705    167
    592.94   6.621     97
    592.50   6.616    110
    428.94   4.790    280
    197.38   2.204   1000

in CDCl3