5736-89-0

4-(正丁氧基)苯乙酮(5736-89-0)质谱(MS)

产品名称:4-(正丁氧基)苯乙酮

CAS:5736-89-0

分子式:C12H16O2

分子量: 192.25

InChI:InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3

InChIKey: YYLCJWIQUFHYMY-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(OCCCC)C=C1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4176          
4'-butoxyacetophenone
C12H16O2            (Mass of molecular ion:    192)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      29.0       5.9
      39.0       2.0
      41.0       5.9
      43.0       6.0
      55.0       1.0
      57.0       4.5
      65.0       4.4
      77.0       1.6
      91.0       1.5
      93.0       6.6
     107.0       1.6
     121.0     100.0
     122.0       8.1
     136.0       8.8
     137.0       2.3
     177.0      14.6
     178.0       1.7
     192.0      26.7
     193.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
4'-butoxyacetophenone

    Assign.     Shift(ppm)

      A             7.906
      B             6.900
      C             3.994
      D             2.525
      E             1.768
      F             1.488
      G             0.974

     Hz     ppm     Int.

   3166.99   7.925     41
   3164.18   7.918    325
   3161.99   7.912     99
   3157.23   7.900    106
   3155.15   7.895    318
   3152.34   7.888     41
   2764.89   6.919     41
   2762.08   6.912    313
   2759.89   6.906     94
   2755.13   6.894     97
   2753.05   6.889    289
   2750.12   6.882     36
   1603.03   4.012    178
   1596.44   3.995    339
   1589.97   3.979    181
   1009.16   2.526   1000
    721.68   1.806     38
    715.33   1.790    100
    712.04   1.782     35
    708.86   1.774    100
    707.89   1.772    115
    706.42   1.768     77
    705.69   1.766     75
    702.27   1.758     43
    701.17   1.755     62
    700.07   1.752    109
    693.48   1.736     50
    606.32   1.518     84
    600.59   1.503     51
    598.75   1.499    122
    593.26   1.485     52
    591.19   1.480    126
    583.74   1.461     82
    396.73   0.993    306
    389.28   0.975    545
    381.84   0.956    263

in CDCl3