6-氯間甲酚 OR 3-甲基-6-氯苯酚(615-74-7)質(zhì)譜(MS)

產(chǎn)品名稱:6-氯間甲酚 OR 3-甲基-6-氯苯酚

CAS:615-74-7

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

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

¹H NMR	89.56 MHz
C₇ H₇ Cl O	0.051 g : 0.5 ml CDCl₃
6-chloro-m-cresol

    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