13220-33-2

3-羥基-1-甲基四氫吡咯(13220-33-2)Raman光譜

產品名稱:3-羥基-1-甲基四氫吡咯

CAS:13220-33-2

分子式:C5H11NO

分子量: 101.15

InChI:InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3

InChIKey: FLVFPAIGVBQGET-UHFFFAOYSA-N

Smiles:N1(C)CCC(O)C1

Mass

MS-NW-5615          
1-methyl-3-pyrrolidinol
C5H11NO             (Mass of molecular ion:    101)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       6.4
      17.0       2.1
      18.0      10.2
      26.0       1.4
      27.0       5.0
      28.0       5.1
      29.0       2.6
      30.0       2.6
      31.0       1.7
      39.0       4.3
      40.0       1.7
      41.0       6.4
      42.0      53.7
      43.0       6.8
      44.0      17.8
      53.0       2.0
      54.0       1.7
      55.0       3.3
      56.0       1.9
      57.0     100.0
      58.0       6.4
      67.0       2.5
      71.0       1.4
      80.0       4.0
      81.0       6.3
      82.0      10.9
      83.0       5.1
      84.0       1.3
     100.0       5.4
     101.0      31.2
     102.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₁ N O	0.05 ml : 0.5 ml CDCl₃
1-methyl-3-pyrrolidinol

    Assign.     Shift(ppm)

      A             4.7
      B             4.329
      C     *1      2.801
      D     *2      2.58
      E     *2      2.57
      F             2.327
      G     *3      2.31
      J     *3      2.199
      K     *1      1.717

     Hz     ppm     Int.

   1736.21   4.345     43
   1735.23   4.342     36
   1732.18   4.335     63
   1728.52   4.326     63
   1725.46   4.318     39
   1723.88   4.314     43
   1131.10   2.831     46
   1125.98   2.818     49
   1122.80   2.810     62
   1121.95   2.808     63
   1117.80   2.797     61
   1116.70   2.795     66
   1113.77   2.787     58
   1108.76   2.775     56
   1032.47   2.584    373
   1028.81   2.575    173
   1027.47   2.571    237
    934.81   2.340     85
    930.30   2.328   1000
    926.51   2.319    116
    925.54   2.316     90
    919.80   2.302     88
    918.95   2.300     77
    917.11   2.295     84
    910.64   2.279     69
    895.63   2.242     37
    890.63   2.229     36
    888.06   2.223     40
    887.45   2.221     35
    882.32   2.208     70
    879.88   2.202     30
    877.08   2.195     43
    874.63   2.189     65
    869.38   2.176     46
    866.33   2.168     30
    701.05   1.755     30
    694.46   1.738     33
    693.12   1.735     38
    691.41   1.731     33
    690.19   1.727     35
    687.74   1.721     33
    686.52   1.718     35
    684.69   1.714     32
    683.59   1.711     31
    681.15   1.705     30
    679.69   1.701     32

in CDCl3