(S)-1-Benzyl-3-pyrrolidinol (101385-90-4) IR1

Product Name(S)-1-Benzyl-3-pyrrolidinol

CAS 101385-90-4

Molecular FormulaC11H15NO

Molecular Weight177.24

InChIInChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1

InChIKey YQMXOIAIYXXXEE-NSHDSACASA-N

SmilesN1(CC2=CC=CC=C2)CC[C@H](O)C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4098          
(S)-1-benzyl-3-pyrrolidinol
C11H15NO            (Mass of molecular ion:    177)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.2
      28.0       2.1
      29.0       1.4
      30.0       1.8
      39.0       3.5
      41.0       4.4
      42.0      89.8
      43.0       5.6
      44.0       3.5
      51.0       2.1
      55.0       2.1
      56.0       1.1
      57.0       1.9
      58.0       1.4
      63.0       1.8
      65.0      15.3
      66.0       1.0
      68.0       1.2
      70.0       1.3
      77.0       2.1
      82.0       1.0
      86.0      34.1
      87.0       1.7
      89.0       2.9
      90.0       1.6
      91.0     100.0
      92.0      12.9
     100.0      22.5
     101.0       1.3
     104.0       3.9
     105.0       2.3
     118.0       2.3
     120.0       2.1
     131.0       1.1
     132.0      24.2
     133.0      34.9
     134.0       4.1
     157.0       1.3
     158.0       1.0
     176.0      15.7
     177.0      36.1
     178.0       5.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O	0.05 ml : 0.5 ml CDCl₃
(S)-1-benzyl-3-pyrrolidinol

    Assign.     Shift(ppm)

      A             7.28
      B             7.24
      C             4.273
      D             4.00
      E             3.579
      F     *1      2.779
      G             2.575
      J             2.558
      K     *2      2.316
      L     *1      2.131
      M     *2      1.679
     
     J(C,J)=5.2HZ
     J(C,G)=3.2HZ

     Hz     ppm     Int.

   2918.95   7.304     45
   2914.67   7.294    759
   2914.31   7.293    759
   2909.91   7.282    806
   2904.42   7.268     70
   2902.47   7.263     79
   2901.12   7.260     79
   2899.90   7.257     70
   2896.12   7.247    226
   2892.70   7.239    106
   2891.85   7.236    145
   2890.14   7.232     76
   2888.67   7.229     68
   2887.45   7.225    143
   2885.25   7.220     58
   2884.40   7.218     49
   2883.18   7.215     75
   2881.71   7.211     47
   2878.78   7.204     33
   1717.29   4.297     41
   1714.36   4.290     77
   1711.55   4.283     71
   1709.47   4.278    106
   1706.67   4.271    104
   1704.35   4.265     75
   1701.66   4.258     80
   1698.73   4.251     44
   1596.56   3.995     40
   1430.79   3.581   1000
   1122.44   2.809     58
   1117.07   2.796     68
   1114.01   2.788     94
   1113.40   2.786     90
   1108.64   2.775     95
   1108.03   2.773     97
   1105.10   2.766     79
   1099.73   2.752     73
   1038.45   2.599     32
   1035.28   2.591     41
   1028.20   2.573    230
   1025.51   2.567    436
   1020.39   2.554    271
   1015.38   2.541     54
   1010.13   2.528     60
    937.99   2.348     68
    931.52   2.331     86
    929.44   2.326    116
    922.85   2.310    120
    920.29   2.303     89
    913.82   2.287     84
    869.14   2.175     43
    863.89   2.162     46
    861.57   2.156     53
    860.84   2.154     52
    855.59   2.141     97
    853.27   2.136     46
    850.22   2.128     61
    847.90   2.122     93
    842.65   2.109     63
    841.92   2.107     56
    839.60   2.101     45
    834.23   2.088     38
    686.04   1.717     36
    683.35   1.710     36
    679.44   1.701     44
    677.73   1.696     60
    675.66   1.691     47
    672.00   1.682     56
    669.31   1.675     57
    665.89   1.667     42
    663.82   1.662     53
    661.99   1.657     40
    657.84   1.647     32
    655.27   1.640     30

in CDCl3