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1485-07-0

2-萘乙醇(1485-07-0)质谱(MS)

产品名称: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

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    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

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

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nujol mull

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