25245-34-5

1-溴-2,5-二甲氧基苯(25245-34-5)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):1-溴-2,5-二甲氧基苯

CAS:25245-34-5

分子式:C8H9BrO2

分子量: 217.06

InChI:InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(OC)C=C1Br

Mass

MS-NW-9961          
2-bromo-1,4-dimethoxybenzene
C8H9BrO2            (Mass of molecular ion:    216)

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

      15.0       2.4
      26.0       1.6
      28.0       1.8
      29.0       1.0
      37.0       1.5
      38.0       1.9
      39.0       3.5
      50.0       5.4
      51.0      12.7
      52.0       1.2
      53.0      14.0
      54.0       2.6
      61.0       3.0
      62.0       7.3
      63.0      18.4
      64.0       6.0
      65.0      11.5
      66.0      11.0
      74.0       2.9
      75.0       3.0
      76.0       1.8
      77.0       9.6
      78.0       3.4
      79.0      25.2
      80.0       1.7
      82.0       1.3
      91.0       1.0
      92.0       7.1
      93.0       1.7
      94.0       1.8
     107.0      26.8
     108.0       2.8
     109.0       1.0
     122.0       5.4
     131.0       1.1
     142.0       1.4
     143.0       1.2
     144.0       1.4
     155.0       1.0
     157.0       1.9
     158.0       1.9
     159.0       1.0
     160.0       1.9
     170.0       2.8
     172.0       2.8
     173.0      19.6
     174.0       1.4
     175.0      19.0
     176.0       1.2
     187.0       1.3
     201.0     100.0
     202.0       8.5
     203.0      98.2
     204.0       8.2
     216.0      94.0
     217.0       8.3
     218.0      90.9
     219.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈H₉BrO₂	0.05 ml : 0.5 ml CDCl₃
2-bromo-1,4-dimethoxybenzene

    Assign.     Shift(ppm)

     A           7.102
     B           6.79
     C *         3.800
     D *         3.719

     Hz     ppm     Int.

   2840.70   7.106    195
   2839.85   7.104    190
   2838.26   7.100    183
   2837.53   7.098    175
   2723.27   6.812     51
   2714.60   6.791    383
   2713.87   6.789    447
   2711.19   6.782    256
   2704.59   6.766     27
   2702.15   6.760     39
   1590.34   3.978     10
   1557.26   3.896     10
   1519.29   3.801   1000
   1492.31   3.733     51
   1486.58   3.719    990
   1445.93   3.617     10
   1413.34   3.536     10

in CDCl3