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返回ChemicalBook首页>CAS数据库列表>615-74-7更多图谱> 6-氯间甲酚 OR 3-甲基-6-氯苯酚(615-74-7)质谱(MS)

615-74-7

6-氯间甲酚 OR 3-甲基-6-氯苯酚(615-74-7)质谱(MS)

分子式:C7H7ClO

分子量: 142.58

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

InChIKey: SMFHPCZZAAMJJO-UHFFFAOYSA-N

Smiles:C1(O)=CC(C)=CC=C1Cl

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    Mass

    MS-KW-0492          
    6-chloro-m-cresol
    C7H7ClO             (Mass of molecular ion:    142)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       2.1
          37.0       1.3
          38.0       3.6
          39.0       7.2
          50.0       3.5
          51.0      10.6
          52.0       4.1
          53.0       6.5
          61.0       1.0
          62.0       1.7
          63.0       3.2
          71.0       2.8
          72.0       1.2
          73.0       1.9
          74.0       1.4
          75.0       1.9
          77.0      24.5
          78.0       5.7
          79.0       7.7
          89.0       1.3
         105.0       2.5
         107.0     100.0
         108.0       7.8
         113.0       1.1
         141.0      15.3
         142.0      64.9
         143.0       9.9
         144.0      21.0
         145.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 Cl O 0.051 g : 0.5 ml CDCl3
    6-chloro-m-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.16 B 6.82 C 6.67 D 5.45 E 2.28

         Hz     ppm     Int.
    

        645.56   7.209    181
        637.50   7.119    256
        612.81   6.843    113
        612.50   6.839    117
        612.13   6.835    124
        610.81   6.821    153
        610.44   6.816    157
        601.81   6.720    106
        601.13   6.713    113
        600.50   6.706     74
        599.75   6.697     88
        599.13   6.690     88
        593.69   6.629     74
        593.06   6.622     78
        592.38   6.615     51
        591.69   6.607     65
        591.00   6.599     66
        488.38   5.454   1000
        486.50   5.433     33
        203.94   2.278    985
    

in CDCl3

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CCl4 solution

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KBr disc

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Nujol

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4880 A,200 M,powder

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