19588-08-0

1,3-Diphenyl-2,4-pentanedione(19588-08-0)核磁圖(¹HNMR)

產(chǎn)品名稱:1,3-Diphenyl-2,4-pentanedione

CAS:19588-08-0

分子式:C17H16O2

分子量: 252.31

InChI:InChI=1S/C17H16O2/c1-13(18)17(15-10-6-3-7-11-15)16(19)12-14-8-4-2-5-9-14/h2-11,17H,12H2,1H3

InChIKey: ZRPKYWOSTUYAPU-UHFFFAOYSA-N

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

Mass

MS-NW-6951          
1,3-diphenyl-2,4-pentanedione
C17H16O2            (Mass of molecular ion:    252)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.1
      27.0       3.6
      39.0       3.8
      43.0      11.0
      51.0       2.9
      55.0      36.1
      56.0       1.2
      63.0       3.0
      64.0       1.0
      65.0       6.3
      77.0       6.2
      78.0       1.2
      79.0       2.4
      89.0       4.2
      90.0       3.4
      91.0      19.2
      92.0       2.9
     103.0       3.8
     104.0       1.0
     105.0       5.2
     115.0       5.1
     118.0       3.2
     119.0       1.2
     131.0       1.2
     133.0      24.5
     134.0      13.3
     135.0       1.3
     160.0       1.1
     161.0     100.0
     162.0      11.4
     163.0       1.3
     165.0       1.3
     189.0       1.0
     191.0       2.6
     210.0       2.7
     252.0      27.7
     253.0       5.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₆ O₂	0.041 g : 0.5 ml CDCl₃
1,3-diphenyl-2,4-pentanedione

    Assign.     Shift(ppm)

      A            16.64
      B             7.38
      C             7.34
      D             7.23
      E             7.19
      F             7.140
      G             7.022
      J             3.442
      K             1.878

     Hz     ppm     Int.

   6649.66  16.639    236
   2959.96   7.407     37
   2958.25   7.403     30
   2957.28   7.400     50
   2955.57   7.396     35
   2953.61   7.391     32
   2952.64   7.389     44
   2950.93   7.384    172
   2949.46   7.381     96
   2948.49   7.378     77
   2945.56   7.371     98
   2943.85   7.367    252
   2943.36   7.365    219
   2941.89   7.362    176
   2940.19   7.357    114
   2938.48   7.353     53
   2935.79   7.346     78
   2935.06   7.345     81
   2899.90   7.257     36
   2897.46   7.250     51
   2895.75   7.246     30
   2892.09   7.237    236
   2891.11   7.235    194
   2889.65   7.231     94
   2885.50   7.221     94
   2884.03   7.217    190
   2883.30   7.215    203
   2881.10   7.210    149
   2879.39   7.205     89
   2877.20   7.200     41
   2874.27   7.192     78
   2858.89   7.154    161
   2857.91   7.152    125
   2856.93   7.149    171
   2854.74   7.144     67
   2852.29   7.137     75
   2850.83   7.134    172
   2849.37   7.130    147
   2811.77   7.036    132
   2810.06   7.032    155
   2803.71   7.016    137
   2802.98   7.014    129
   2802.25   7.012    126
   1375.98   3.443    446
    750.73   1.879   1000

in CDCl3

KBr disc

nujol mull

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1,3-Diphenyl-2,4-pentanedione(19588-08-0)核磁圖(1HNMR)

1,3-Diphenyl-2,4-pentanedione(19588-08-0)核磁圖(¹HNMR)