2,2'-(1,3-亞苯基)-二惡唑啉(34052-90-9)質(zhì)譜(MS)

產(chǎn)品名稱:2,2'-(1,3-亞苯基)-二惡唑啉

CAS:34052-90-9

分子式:C12H12N2O2

分子量: 216.24

InChI:InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2

InChIKey: HMOZDINWBHMBSQ-UHFFFAOYSA-N

Smiles:C1(C2=NCCO2)=CC=CC(C2=NCCO2)=C1

Mass

MS-IW-4199          
2,2'-(m-phenylene)bis(2-oxazoline)
C12H12N2O2          (Mass of molecular ion:    216)

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

      50.0       1.1
      51.0       1.7
      58.0       1.8
      63.0       1.5
      64.0       1.3
      65.0       1.2
      72.0       1.7
      75.0       3.0
      76.0       2.2
      77.0       2.4
      78.0      19.0
      78.5       3.2
      89.0       6.9
      90.0       2.5
      91.0       1.5
      93.0       1.9
     102.0       2.6
     103.0       1.5
     115.0       1.7
     116.0      13.5
     117.0       2.1
     130.0       1.4
     142.0       1.6
     143.0       1.5
     144.0      12.3
     145.0       1.5
     146.0       4.0
     156.0       1.2
     174.0       9.6
     175.0       1.1
     186.0     100.0
     187.0      14.6
     188.0       1.3
     215.0       5.5
     216.0      86.1
     217.0      12.3
     218.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₂ N₂ O₂	0.033 g : 0.5 ml CDCl₃
2,2'-(m-phenylene)bis(2-oxazoline)

    Assign.     Shift(ppm)

      A             8.491
      B             8.074
      C             7.469
      D             4.440
      E             4.072

     Hz     ppm     Int.

   3395.02   8.495    169
   3393.43   8.492    305
   3391.72   8.487    171
   3231.93   8.087    382
   3230.22   8.083    364
   3224.12   8.068    404
   3222.41   8.064    391
   2992.55   7.488    165
   2984.74   7.469    289
   2976.93   7.449    145
   1783.94   4.464    434
   1783.33   4.463    409
   1773.93   4.439   1000
   1767.09   4.422     45
   1764.65   4.416    662
   1636.11   4.094    612
   1633.42   4.088     37
   1626.59   4.071    936
   1620.12   4.054     30
   1617.07   4.047    406

in CDCl3