3366-93-6

1-烯丙基乙內(nèi)酰脲(3366-93-6)質(zhì)譜(MS)

產(chǎn)品名稱:1-烯丙基乙內(nèi)酰脲

CAS:3366-93-6

分子式:C6H8N2O2

分子量: 140.14

InChI:InChI=1S/C6H8N2O2/c1-2-3-8-4-5(9)7-6(8)10/h2H,1,3-4H2,(H,7,9,10)

InChIKey: KPDTTZWHFZUVCL-UHFFFAOYSA-N

Smiles:C1(=O)N(CC=C)CC(=O)N1

Mass

MS-IW-9161          
1-allyl-2,4-imidazolidinedione
C6H8N2O2            (Mass of molecular ion:    140)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.2
      15.0       5.8
      18.0       4.1
      26.0       2.3
      27.0       5.9
      28.0      17.5
      29.0       2.6
      30.0       3.6
      37.0       1.7
      38.0       3.8
      39.0      28.8
      40.0       6.6
      41.0      92.0
      42.0      80.8
      43.0       8.9
      44.0       4.5
      52.0       1.0
      54.0       7.6
      55.0       3.5
      56.0      15.3
      57.0       1.8
      67.0       2.2
      68.0      48.7
      69.0     100.0
      70.0      13.3
      82.0       4.5
      85.0       3.6
      97.0      26.0
      98.0       1.8
      99.0       2.6
     113.0       9.6
     139.0       1.5
     140.0      97.1
     141.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ N₂ O₂	0.040 g : 0.5 ml CDCl₃
1-allyl-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A             9.5
      B             5.772
      C             5.277
      D             5.255
      E             3.985
      F             3.891

     Hz     ppm     Int.

   3791.96   9.489     51
   2327.58   5.825     38
   2321.47   5.809     84
   2317.35   5.799     47
   2315.37   5.794     44
   2311.10   5.783    106
   2304.53   5.767    108
   2300.26   5.756     51
   2298.43   5.752     49
   2294.16   5.741    105
   2288.06   5.726     48
   2115.63   5.294     62
   2114.41   5.291    162
   2113.19   5.288    191
   2111.97   5.285     91
   2110.75   5.282     91
   2109.38   5.279    173
   2108.00   5.275    141
   2106.63   5.272     61
   2105.26   5.268     66
   2104.19   5.266    151
   2102.97   5.263    155
   2101.75   5.259     62
   2093.81   5.240     59
   2092.29   5.236    129
   2091.06   5.233    125
   2089.69   5.229     48
   1596.83   3.996    194
   1595.61   3.993    295
   1594.24   3.990    185
   1590.73   3.981    184
   1589.51   3.978    279
   1588.13   3.974    170
   1555.18   3.892   1000

in CDCl3