1-吡咯烷基丁腈(35543-25-0)質(zhì)譜(MS)

產(chǎn)品名稱:1-吡咯烷基丁腈

CAS:35543-25-0

分子式:C8H14N2

分子量: 138.21

InChI:InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2

InChIKey: OSDDDHPYSNZBPF-UHFFFAOYSA-N

Smiles:N1(CCCC#N)CCCC1

Mass

MS2015-05140CW      
4-(1-pyrrolidinyl)butyronitrile
C8H14N2             (Mass of molecular ion:    138)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       2.6
      29.0       1.2
      30.0       1.8
      39.0       3.5
      40.0       1.0
      41.0       7.5
      42.0      15.5
      43.0       3.7
      53.0       1.1
      54.0       2.6
      55.0       8.6
      56.0       3.8
      57.0       5.4
      67.0       1.1
      68.0       4.1
      69.0       3.0
      70.0       3.4
      80.0       2.0
      81.0       1.9
      82.0       2.4
      83.0       3.5
      84.0     100.0
      85.0       7.7
      96.0       2.5
      97.0       2.2
      98.0       2.8
     109.0       1.3
     134.0       1.6
     137.0      12.8
     138.0      13.3
     139.0       1.4

400 MHz in CDCl3

in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₄ N₂	0.05 ml : 0.5 ml CDCl₃
4-(1-pyrrolidinyl)butyronitrile

    Assign.     Shift(ppm)

      A             2.558
      B             2.493
      C             2.441
      D             1.842
      E             1.772

     Hz     ppm     Int.

   1029.54   2.577    529
   1022.58   2.559    902
   1015.50   2.541    563
   1006.47   2.519    102
   1005.62   2.517     99
   1002.56   2.509    435
   1001.10   2.505    351
   1000.00   2.503    345
    998.41   2.499    452
    995.73   2.492    782
    993.16   2.486    433
    991.58   2.482    314
    990.36   2.479    329
    989.01   2.475    426
    985.35   2.466     97
    983.15   2.461    535
    975.95   2.443   1000
    968.75   2.424    570
    750.00   1.877    156
    742.92   1.859    559
    735.84   1.842    712
    728.76   1.824    469
    721.68   1.806    155
    718.14   1.797     93
    714.97   1.789    445
    713.38   1.786    286
    711.91   1.782    509
    708.25   1.773    927
    706.54   1.768    381
    704.47   1.763    468
    703.00   1.760    254
    701.42   1.756    378
    698.24   1.748     85
    693.85   1.737     53