7051-16-3

1-氯-3,5-二甲氧基苯(7051-16-3)質(zhì)譜(MS)

產(chǎn)品名稱:1-氯-3,5-二甲氧基苯

CAS:7051-16-3

分子式:C8H9ClO2

分子量: 172.61

InChI:InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

InChIKey: WQHNWJBSROXROL-UHFFFAOYSA-N

Smiles:C1(Cl)=CC(OC)=CC(OC)=C1

Mass

MS-IW-3609          
1-chloro-3,5-dimethoxybenzene
C8H9ClO2            (Mass of molecular ion:    172)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.0
      28.0       1.3
      37.0       1.3
      38.0       2.9
      39.0       2.9
      50.0       3.9
      51.0       8.3
      52.0       1.1
      53.0       1.8
      59.0       1.0
      61.0       2.5
      62.0       5.8
      63.0      17.4
      64.0       2.8
      65.0       9.8
      66.0       2.7
      69.0       5.0
      73.0       3.0
      74.0       2.6
      75.0       4.3
      77.0      15.5
      78.0       2.1
      79.0      13.7
      86.0       3.7
      87.0       1.1
      88.0       1.0
      91.0       1.9
      92.0       1.6
      93.0       1.0
      94.0       2.1
      98.0       3.4
      99.0      10.8
     100.0       1.9
     101.0       3.9
     107.0       7.5
     108.0      11.4
     109.0       9.8
     110.0       1.0
     111.0       3.0
     112.0      28.3
     113.0       6.2
     114.0      13.2
     115.0       2.0
     116.0       1.4
     122.0       2.5
     126.0       6.0
     127.0       3.9
     128.0       4.1
     129.0      15.1
     130.0       1.6
     131.0       4.7
     137.0       1.0
     141.0       3.9
     142.0      16.1
     143.0      36.3
     144.0       7.9
     145.0      11.5
     146.0       1.3
     171.0       6.1
     172.0     100.0
     173.0      11.0
     174.0      32.8
     175.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl O₂	0.039 g : 0.5 ml CDCl₃
1-chloro-3,5-dimethoxybenzene

    Assign.     Shift(ppm)

      A             6.507
      B             6.337
      C             3.762

     Hz     ppm     Int.

   2601.93   6.511    263
   2599.73   6.506    280
   2535.03   6.344     71
   2532.71   6.338    126
   2530.52   6.332     66
   1503.66   3.763   1000

in CDCl3