90-11-9

1-溴代萘(90-11-9)红外图谱(IR1)

产品名称:1-溴代萘

CAS:90-11-9

分子式:C10H7Br

分子量: 207.07

InChI:InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey: DLKQHBOKULLWDQ-UHFFFAOYSA-N

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

Mass

MS-NW-0892          
1-bromonaphthalene
C10H7Br             (Mass of molecular ion:    206)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       1.0
      38.0       1.4
      39.0       2.0
      49.0       1.2
      50.0       8.7
      51.0       7.4
      52.0       1.1
      61.0       3.0
      62.0       5.2
      63.0      20.0
      63.5      11.6
      64.0       1.6
      73.0       1.3
      74.0      11.0
      75.0      11.9
      76.0       6.2
      77.0      12.4
      85.0       1.1
      86.0       2.7
      87.0       3.8
      90.0       1.7
      91.0       1.8
      98.0       4.5
      99.0       3.7
     100.0       2.9
     101.0       9.3
     102.0       1.1
     103.0       8.4
     103.5       1.0
     104.0       8.3
     122.0       1.0
     125.0       2.2
     126.0      25.4
     127.0     100.0
     128.0      12.2
     206.0      99.2
     207.0      11.7
     208.0      96.7
     209.0      10.7
     286.0       1.6

400 MHz in CDCl3

parameter in CCl4

¹H NMR	399.65 MHz
C₁₀ H₇ Br	0.05 ml : 0.5 ml CDCl₃
1-bromonaphthalene

    Assign.     Shift(ppm)

      A             8.194
      B             7.731
      C             7.706
      D             7.699
      E             7.509
      F             7.442
      G             7.210
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   3283.08   8.215     44
   3279.17   8.206    511
   3275.63   8.197     40
   3271.36   8.186    518
   3270.39   8.184    551
   3097.66   7.751     64
   3093.87   7.742    501
   3093.26   7.740    471
   3088.87   7.729    122
   3086.43   7.723    592
   3084.84   7.719    960
   3083.74   7.717   1000
   3081.18   7.710    702
   3077.39   7.701    591
   3076.29   7.698    986
   3072.88   7.689    713
   3010.86   7.534    318
   3009.64   7.531    328
   3004.03   7.517    515
   3002.69   7.514    641
   3001.10   7.510    360
   2997.80   7.502     58
   2995.61   7.496    469
   2994.26   7.493    472
   2993.04   7.490    340
   2986.08   7.472     34
   2984.99   7.470     36
   2981.45   7.461    468
   2980.10   7.457    519
   2974.49   7.443    329
   2973.27   7.440    651
   2972.05   7.437    491
   2966.31   7.423    289
   2965.21   7.420    284
   2959.84   7.407     31
   2889.04   7.229    689
   2885.50   7.221     32
   2881.59   7.211    729
   2880.86   7.209    779
   2873.41   7.190    610

¹H NMR	300 MHz
C₁₀ H₇ Br	5 mol% in CCl₄
1-bromonaphthalene

    Parameter     ppm  Hz

      D(A)         7.701
      D(B)         7.226
      D(C)         7.698
      D(D)         7.724
      D(E)         7.432
      D(F)         7.507
      D(G)         8.182
       J(A,B)          7.2
       J(A,C)          1.3
       J(A,D)          0.0
       J(A,E)          0.0
       J(A,F)          0.0
       J(A,G)          0.8
       J(B,C)          8.3
       J(B,D)          0.0
       J(B,E)          0.0
       J(B,F)          0.0
       J(B,G)          0.0
       J(C,D)          0.0
       J(C,E)          0.0
       J(C,F)          0.0
       J(C,G)          0.7
       J(D,E)          8.2
       J(D,F)          0.9
       J(D,G)          0.7
       J(E,F)          6.7
       J(E,G)          0.9
       J(F,G)          8.1
     
     EMSLEY,J.W. ET AL. J.CHEM.SOC. B 1970, 1513

     Hz     ppm     Int.

   2458.69   8.196    253
   2450.71   8.169    277
   2449.96   8.167    217
   2322.23   7.741    206
   2321.43   7.738    288
   2320.51   7.735    200
   2314.15   7.714    951
   2313.52   7.712   1000
   2306.79   7.689    446
   2306.07   7.687    710
   2260.35   7.534    136
   2259.35   7.531    147
   2253.66   7.512    254
   2252.60   7.509    308
   2251.36   7.505    142
   2245.78   7.486    244
   2244.66   7.482    216
   2236.79   7.456    252
   2235.72   7.452    265
   2230.10   7.434    156
   2228.81   7.429    286
   2227.75   7.426    221
   2222.04   7.407    127
   2221.06   7.404    119
   2175.33   7.251    356
   2168.05   7.227    345
   2167.14   7.224    341
   2159.85   7.199    287

in CDCl3