4-乙氧基亞甲基-2-苯基惡唑啉-5-酮(15646-46-5)紅外圖譜(IR2)

產(chǎn)品名稱:4-乙氧基亞甲基-2-苯基惡唑啉-5-酮

CAS:15646-46-5

分子式:C12H11NO3

分子量: 217.22

InChI:InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey: SJHPCNCNNSSLPL-UHFFFAOYSA-N

Smiles:O1C(=O)C(=COCC)N=C1C1=CC=CC=C1

Mass

MS-IW-2292          
4-ethoxymethylene-2-phenyl-2-oxazolin-5-one
C12H11NO3           (Mass of molecular ion:    217)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.7
      29.0       2.0
      50.0       2.8
      51.0      10.0
      76.0       2.4
      77.0      38.4
      78.0       2.7
     103.0       1.3
     104.0       3.8
     105.0     100.0
     106.0       8.0
     161.0       1.3
     174.0       1.1
     189.0      17.9
     190.0       2.0
     217.0      32.6
     218.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₁ N O₃	0.042 g : 0.5 ml CDCl₃
4-ethoxymethylene-2-phenyl-2-oxazolin-5-one

    Assign.     Shift(ppm)

      A             8.055
      B             7.53
      C             7.45
      D             7.344
      E             4.436
      F             1.485
     
     J(E,F)=7.2HZ.

     Hz     ppm     Int.

    727.25   8.121    186
    725.19   8.098    197
    723.69   8.081     58
    722.75   8.071     76
    722.13   8.064    135
    721.06   8.052    102
    720.38   8.044    151
    719.63   8.036    115
    718.13   8.019    109
    717.38   8.011    279
    715.50   7.990     42
    677.69   7.567     53
    676.06   7.549     80
    675.31   7.541     69
    673.00   7.515    390
    671.31   7.496    355
    668.31   7.463    147
    667.63   7.455    135
    666.69   7.445    119
    665.88   7.436    188
    662.63   7.399     49
    661.13   7.382     65
    657.75   7.345    604
    408.31   4.560    112
    401.19   4.480    373
    394.06   4.400    388
    387.00   4.322    137
    139.88   1.562    476
    132.81   1.483   1000
    125.69   1.404    422

KBr disc