3-丁基-1-苯鄰二甲酰亞胺(52898-32-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-丁基-1-苯鄰二甲酰亞胺

CAS:52898-32-5

分子式:C12H11NO2

分子量: 201.22

InChI:InChI=1S/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2,4-7H,1,3,8H2

InChIKey: ZDOLXCKKXHSEJG-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(=O)N1CCC=C

Mass

MS-IW-9340          
N-(3-butenyl)phthalimide
C12H11NO2           (Mass of molecular ion:    201)

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

      27.0       1.4
      28.0       1.3
      39.0       2.1
      50.0       3.9
      51.0       3.0
      52.0       1.0
      53.0       1.0
      54.0       2.0
      74.0       1.1
      75.0       2.2
      76.0       7.2
      77.0      10.1
      78.0       1.0
     102.0       1.7
     104.0       5.7
     105.0       4.0
     130.0       2.5
     133.0       4.9
     160.0     100.0
     161.0      10.5
     186.0       1.3
     201.0      18.5
     202.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N O₂	0.039 g : 0.5 ml CDCl₃
N-(3-butenyl)phthalimide

    Assign.     Shift(ppm)

      A             7.841
      B             7.717
      C             5.798
      D             5.070
      E             5.024
      F             3.775
      G             2.455

     Hz     ppm     Int.

   3143.80   7.867     55
   3142.33   7.863     77
   3138.55   7.854    765
   3135.50   7.846    750
   3133.18   7.840    620
   3130.00   7.832   1000
   3126.10   7.823    104
   3124.88   7.820     85
   3093.26   7.740    102
   3092.16   7.738    126
   3088.26   7.728    985
   3085.33   7.721    638
   3082.76   7.714    722
   3079.71   7.707    762
   3075.93   7.697     61
   3074.46   7.693     42
   2338.26   5.851     77
   2331.30   5.834    161
   2328.13   5.826     87
   2324.34   5.816     86
   2321.17   5.809    254
   2314.21   5.791    263
   2311.04   5.783     95
   2307.25   5.774     93
   2304.08   5.766    187
   2297.12   5.748     91
   2037.23   5.098    129
   2035.64   5.094    312
   2033.94   5.090    311
   2032.47   5.086    137
   2020.14   5.055    121
   2018.55   5.051    288
   2016.85   5.047    294
   2015.26   5.043    193
   2014.77   5.042    184
   2013.67   5.039    303
   2012.82   5.037    229
   2011.84   5.035    250
   2010.74   5.032    126
   2004.64   5.016    142
   2003.42   5.013    270
   2002.69   5.012    210
   2001.71   5.009    229
   2000.61   5.006    112
   1515.99   3.794    605
   1509.03   3.776    963
   1501.83   3.758    623
    993.04   2.485    113
    991.82   2.482    175
    990.48   2.479    120
    985.96   2.468    296
    984.74   2.465    452
    983.52   2.461    302
    978.88   2.450    306
    977.66   2.447    446
    976.44   2.444    281
    971.92   2.432    113
    970.70   2.429    165
    969.36   2.426    106

in CDCl3