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返回ChemicalBook首页>CAS数据库列表>94-74-6更多图谱> 2-甲基-4-氯苯氧乙酸(94-74-6)核磁图(1HNMR)

94-74-6

2-甲基-4-氯苯氧乙酸(94-74-6)核磁图(1HNMR)

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

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    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

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

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CCl4 solution

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KBr disc

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nujol mull

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