939-26-4

2-溴甲基萘(939-26-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-溴甲基萘

CAS:939-26-4

分子式:C11H9Br

分子量: 221.09

InChI:InChI=1S/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2

InChIKey: RUHJZSZTSCSTCC-UHFFFAOYSA-N

Smiles:C1=C2C(C=CC=C2)=CC=C1CBr

Mass

MS-IW-8269          
2-(bromomethyl)naphthalene
C11H9Br             (Mass of molecular ion:    220)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      39.0       2.0
      50.0       1.9
      51.0       1.9
      57.5       6.5
      58.0       1.2
      62.0       2.2
      63.0       3.9
      65.0       1.3
      69.0       2.7
      69.5       5.1
      70.0       3.9
      70.5       9.8
      71.0       2.1
      74.0       1.7
      75.0       1.4
      86.0       1.2
      87.0       1.6
      88.0       1.3
      89.0       3.1
     110.0       2.2
     111.0       2.1
     113.0       2.1
     114.0       1.7
     115.0      14.0
     116.0       2.0
     139.0      11.0
     140.0       4.3
     141.0     100.0
     142.0      14.5
     143.0       1.1
     220.0      11.8
     221.0       2.1
     222.0      11.5
     223.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₉ Br	0.035 g : 0.5 ml CDCl₃
2-(bromomethyl)naphthalene

    Assign.     Shift(ppm)

      A             7.81
      B             7.80
      C             7.78
      D             7.49
      E             7.48
      F             7.46
      G             4.641
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   3128.17   7.828     61
   3125.49   7.821    210
   3117.43   7.801    669
   3114.50   7.794    235
   3110.47   7.783     93
   3108.40   7.778    139
   3003.78   7.517     23
   3000.00   7.507     21
   2995.48   7.496    196
   2994.26   7.493    154
   2993.41   7.491    158
   2991.58   7.486    320
   2988.89   7.479    170
   2987.67   7.476    247
   2985.35   7.470    267
   2982.06   7.462    308
   2979.00   7.455     36
   2977.78   7.451     46
   2975.10   7.445     21
   1854.74   4.641   1000

in CDCl3