1-(2-氯乙基)萘(41332-02-9)質(zhì)譜(MS)

產(chǎn)品名稱:1-(2-氯乙基)萘

CAS:41332-02-9

分子式:C12H11Cl

分子量: 190.67

InChI:InChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2

InChIKey: COIBFCUQUWJKEN-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9293          
1-(2-chloroethyl)naphthalene
C12H11Cl            (Mass of molecular ion:    190)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.3
      50.0       1.2
      51.0       2.4
      63.0       3.9
      64.0       1.3
      74.0       1.3
      75.0       2.3
      75.5       1.3
      76.0       6.0
      76.5       1.5
      77.0       2.5
      89.0       1.0
     115.0      10.4
     116.0       1.1
     126.0       1.9
     127.0       2.9
     128.0       2.3
     139.0       3.3
     140.0       1.0
     141.0     100.0
     142.0      12.1
     151.0       2.2
     152.0       6.2
     153.0       6.4
     154.0       3.0
     155.0       2.4
     190.0      22.1
     191.0       3.0
     192.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ Cl	0.05 ml : 0.5 ml CDCl₃
1-(2-chloroethyl)naphthalene

    Assign.     Shift(ppm)

      A             7.921
      B             7.802
      C             7.704
      D             7.47
      E             7.45
      F             7.349
      G             7.286
      J             3.745
      K             3.458

     Hz     ppm     Int.

   3170.65   7.934    268
   3169.80   7.932    307
   3161.50   7.911    328
   3123.41   7.816    294
   3115.60   7.796    368
   3113.89   7.792    317
   3083.13   7.715    344
   3075.07   7.695    369
   2991.94   7.487    135
   2990.36   7.483    160
   2985.23   7.470    336
   2983.64   7.466    315
   2982.18   7.462    144
   2977.17   7.450    449
   2976.56   7.448    435
   2974.85   7.444    490
   2969.48   7.431    182
   2968.51   7.428    313
   2967.16   7.425    321
   2964.23   7.418     37
   2963.99   7.417     37
   2963.75   7.416     37
   2961.67   7.411    159
   2960.33   7.408    127
   2945.31   7.370    293
   2938.23   7.353    495
   2930.05   7.332    446
   2915.41   7.295    427
   2909.06   7.280    259
   1505.13   3.767    568
   1497.68   3.748   1000
   1496.58   3.745    533
   1489.62   3.728    712
   1389.28   3.477    552
   1381.35   3.457    754
   1373.78   3.438    439

in CDCl3