2-萘乙醇(1485-07-0)質(zhì)譜(MS)

產(chǎn)品名稱:2-萘乙醇

CAS:1485-07-0

分子式:C12H12O

分子量: 172.22

InChI:InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2

InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N

Smiles:C1=C2C(C=CC=C2)=CC=C1CCO

Mass

MS-NW-6791          
2-naphthaleneethanol
C12H12O             (Mass of molecular ion:    172)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.4
      28.0       1.0
      31.0       1.5
      39.0       1.8
      50.0       1.2
      51.0       1.9
      62.0       1.2
      63.0       3.6
      65.0       1.0
      74.0       1.3
      75.0       1.6
      76.0       2.7
      77.0       1.5
      89.0       1.8
      91.0       1.1
     113.0       1.0
     115.0      17.8
     116.0       1.9
     126.0       1.3
     127.0       1.7
     128.0       4.5
     129.0       1.2
     139.0       6.8
     140.0       2.3
     141.0     100.0
     142.0      23.8
     143.0       2.8
     151.0       1.2
     152.0       4.4
     153.0       5.1
     154.0       9.7
     155.0       1.6
     170.0       1.2
     172.0      34.7
     173.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₂ O	0.041 g : 0.5 ml CDCl₃
2-naphthaleneethanol

    Assign.     Shift(ppm)

      A     *1      7.78
      B     *1      7.76
      C             7.626
      D     *2      7.44
      E     *2      7.41
      F             7.303
      G             3.854
      J             2.955
      K             1.84

     Hz     ppm     Int.

   3114.75   7.794    305
   3113.16   7.790    220
   3111.94   7.787    168
   3107.42   7.776    372
   3105.10   7.770   1000
   3097.05   7.750    734
   3096.31   7.748    839
   3092.41   7.738     38
   3091.55   7.736     32
   3047.97   7.627    547
   3047.12   7.625    553
   2982.06   7.462    118
   2980.35   7.458    147
   2975.22   7.445    382
   2973.63   7.441    370
   2970.21   7.433    395
   2968.26   7.428    588
   2967.77   7.426    643
   2965.82   7.422    346
   2963.38   7.415    177
   2962.40   7.413    325
   2960.82   7.409    378
   2955.69   7.396    128
   2953.98   7.392     99
   2923.71   7.316    363
   2922.12   7.312    362
   2915.28   7.295    342
   2913.70   7.291    326
   1547.00   3.871    258
   1540.53   3.855    483
   1534.06   3.839    264
   1187.38   2.972    531
   1180.91   2.955    984
   1174.32   2.939    489
    736.21   1.843    372

KBr disc