94-74-6

2-甲基-4-氯苯氧乙酸(94-74-6)质谱(MS)

产品名称:2-甲基-4-氯苯氧乙酸

CAS:94-74-6

分子式:C9H9ClO3

分子量: 200.62

InChI:InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChIKey: WHKUVVPPKQRRBV-UHFFFAOYSA-N

Smiles:C(O)(=O)COC1=CC=C(Cl)C=C1C

Mass

MS-NW-2298          
(4-chloro-2-methylphenoxy)acetic acid
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.5
      27.0       2.2
      28.0       2.3
      29.0       2.1
      31.0       4.4
      37.0       1.0
      38.0       2.3
      39.0       7.8
      42.0       2.0
      45.0       2.5
      50.0       6.1
      51.0      16.5
      52.0       4.2
      53.0       1.5
      60.0       2.4
      61.0       1.5
      62.0       3.6
      63.0      10.9
      64.0       1.9
      65.0       2.8
      73.0       4.2
      74.0       2.4
      75.0       4.0
      76.0       1.3
      77.0      51.8
      78.0      10.1
      79.0       2.2
      86.0       1.0
      87.0       1.5
      89.0      16.8
      90.0       5.1
      91.0       7.9
      99.0       5.5
     101.0       2.0
     105.0       1.2
     106.0       1.7
     107.0      15.1
     108.0       1.5
     112.0       3.6
     113.0      10.5
     114.0       1.8
     115.0       3.5
     125.0      31.9
     126.0       4.2
     127.0      12.9
     128.0       1.6
     140.0       1.4
     141.0     100.0
     142.0      31.7
     143.0      33.8
     144.0      10.5
     154.0       4.3
     155.0      29.1
     156.0       5.5
     157.0      10.0
     158.0       1.5
     165.0       1.2
     182.0       1.2
     200.0      96.0
     201.0      10.0
     202.0      31.8
     203.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ Cl O₃	0.044 g : 0.5 ml CDCl₃
(4-chloro-2-methylphenoxy)acetic acid

    Assign.     Shift(ppm)

      A            10.69
      B             7.14
      C             7.13
      D             6.64
      E             4.667
      F             2.251

     Hz     ppm     Int.

    957.70  10.694    194
    639.76   7.144    311
    639.13   7.137    334
    638.49   7.130    218
    637.70   7.121    133
    632.23   7.060    123
    631.67   7.054    122
    629.61   7.031     79
    628.97   7.023     76
    598.27   6.681    129
    596.84   6.665     92
    590.41   6.593     54
    589.30   6.580     89
    417.99   4.668   1000
    201.62   2.252    946

in CDCl3