58632-95-4

2-(叔丁氧羰基氧亚氨基)-2-苯乙腈(58632-95-4)核磁图(¹³CNMR)

产品名称:2-(叔丁氧羰基氧亚氨基)-2-苯乙腈

CAS:58632-95-4

分子式:C13H14N2O3

分子量: 246.26

InChI:InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3

InChIKey: QQWYQAQQADNEIC-UHFFFAOYSA-N

Smiles:C(OC(C)(C)C)(=O)ON=C(C#N)C1=CC=CC=C1

Mass

MS-NW-9750          
2-(tert-butoxycarbonyloxyimino)-2-phenylacetonitrile
C13H14N2O3          (Mass of molecular ion:    246)

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

      27.0       3.9
      28.0       4.3
      29.0       7.6
      38.0       1.8
      39.0      10.4
      40.0       2.4
      41.0      34.6
      42.0       1.4
      43.0       2.5
      44.0      21.0
      50.0       4.9
      51.0      10.3
      52.0       1.5
      53.0       1.6
      55.0       5.7
      56.0      15.7
      57.0     100.0
      58.0       5.1
      59.0       2.0
      62.0       1.5
      63.0       2.3
      64.0       1.3
      65.0       1.7
      75.0       1.6
      76.0       4.2
      77.0      27.8
      78.0       3.4
      88.0       2.0
      89.0      23.5
      90.0       2.3
     102.0       1.0
     103.0       9.5
     104.0       1.6
     114.0       1.6
     115.0       2.5
     116.0      33.4
     117.0       3.2
     119.0       2.6
     129.0      18.4
     130.0       3.9
     146.0      28.2
     147.0       4.9
     202.0       1.0
     231.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₄ N₂ O₃	0.038 g : 0.5 ml CDCl₃
2-(tert-butoxycarbonyloxyimino)-2-phenylacetonitrile

    Assign.     Shift(ppm)

      A             7.94
      B          7.61 to 7.38
      C             1.603

     Hz     ppm     Int.

    717.13   8.008     36
    715.31   7.987     39
    712.19   7.953     25
    711.88   7.949     25
    710.06   7.929     38
    708.56   7.912     25
    707.38   7.899     59
    679.19   7.584     25
    676.31   7.552     82
    674.81   7.535     72
    673.88   7.525     47
    672.00   7.504     28
    670.56   7.488     28
    669.50   7.476     31
    668.94   7.470     39
    143.63   1.604   1000

in CDCl3