6123-63-3

4-乙酰-5-甲基-1-苯基吡唑(6123-63-3)红外图谱(IR2)

产品名称:4-乙酰-5-甲基-1-苯基吡唑

CAS:6123-63-3

分子式:C12H12N2O

分子量: 200.24

InChI:InChI=1S/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3

InChIKey: FZEDJUVQMGBVRC-UHFFFAOYSA-N

Smiles:C(=O)(C1=C(C)N(C2=CC=CC=C2)N=C1)C

¹HNMR

IR1

IR2

Mass

MS-IW-2758          
4-acetyl-5-methyl-1-phenylpyrazole
C12H12N2O           (Mass of molecular ion:    200)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      39.0       2.0
      43.0       3.6
      50.0       1.4
      51.0       7.0
      52.0       1.1
      63.0       1.0
      65.0       1.5
      77.0      15.5
      78.0       2.1
      89.0       1.7
      91.0       1.4
      92.5       1.6
     100.0       1.1
     103.0       1.8
     116.0       2.3
     118.0       3.2
     128.0       1.2
     130.0       2.5
     142.0       1.2
     145.0       1.1
     156.0       1.0
     157.0       1.7
     185.0     100.0
     186.0      12.9
     200.0      46.9
     201.0       6.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₂ N₂ O	0.034 g : 0.5 ml DMSO-d₆
4-acetyl-5-methyl-1-phenylpyrazole

    Assign.     Shift(ppm)

      A             8.252
      B             7.57
      C             7.55
      D             7.53
      E             2.512
      F             2.454
     
     THE SIGNAL E INCLUDES DMSO-D6 SIGNALS.

     Hz     ppm     Int.

   3297.85   8.252    261
   3038.33   7.603     32
   3036.99   7.600     49
   3031.01   7.585     90
   3029.54   7.581    120
   3028.08   7.577     93
   3025.02   7.570     53
   3022.58   7.564    189
   3016.48   7.548    170
   3014.77   7.544    273
   3011.96   7.537    121
   3010.99   7.535     86
   3009.52   7.531     91
   3007.93   7.527    111
   3006.23   7.523     89
   3003.66   7.516     93
   2996.83   7.499     30
   1003.91   2.512    896
    980.96   2.455   1000

KBr disc