104706-47-0

(R)-3-羥基吡咯烷鹽酸鹽(104706-47-0)紅外圖譜(IR2)

產(chǎn)品名稱:(R)-3-羥基吡咯烷鹽酸鹽

CAS:104706-47-0

分子式:C4H10ClNO

分子量: 123.58

InChI:InChI=1/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/s3

InChIKey: QPMSJEFZULFYTB-NDILARRWNA-N

Smiles:[C@H]1(O)CNCC1.Cl |&1:0,r|

Mass

MS-IW-4172          
(R)-3-pyrrolidinol hydrochloride
C4H9NO HCl          (Mass of molecular ion:     87)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       3.9
      17.0       1.0
      18.0       6.3
      26.0       1.2
      27.0       5.6
      28.0      27.0
      29.0       9.4
      30.0      49.7
      31.0       5.7
      32.0       1.0
      35.0       7.3
      36.0      77.1
      37.0       2.6
      38.0      35.3
      39.0       5.0
      40.0       2.6
      41.0      15.2
      42.0      29.4
      43.0     100.0
      44.0      15.2
      56.0       3.3
      57.0       9.1
      58.0       2.9
      59.0      11.6
      67.0       1.2
      68.0       6.0
      69.0       1.7
      70.0       2.7
      72.0       1.9
      86.0       3.6
      87.0      65.7
      88.0       6.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₉ N O	0.039 g : 0.5 ml DMSO-d₆
(R)-3-pyrrolidinol hydrochloride

    Assign.     Shift(ppm)

      A             9.49
      B             5.42
      C             4.39
      D     *1      3.21
      E     *1      3.18
      F             3.132
      G             3.008
      J     *2      1.89
      K     *2      1.86
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   3793.18   9.492    204
   2166.75   5.422    246
   1755.37   4.393    480
   1753.08   4.387    532
   1751.40   4.383    512
   1297.15   3.246     57
   1294.86   3.240     30
   1291.96   3.233    109
   1289.06   3.226    120
   1286.01   3.218    610
   1284.33   3.214    711
   1281.13   3.206    599
   1277.31   3.197   1000
   1275.63   3.192    702
   1273.04   3.186    624
   1267.85   3.173    517
   1263.89   3.163    146
   1260.83   3.155    501
   1256.56   3.145    584
   1248.93   3.126    747
   1244.51   3.115    723
   1207.12   3.021    775
   1195.07   2.991    513
    776.06   1.942     61
    771.79   1.932     57
    766.60   1.919     81
    762.79   1.909    299
    758.51   1.898    300
    753.63   1.886    675
    749.51   1.876    732
    747.53   1.871    560
    745.24   1.865    563
    741.12   1.855    511
    735.93   1.842    105
    734.41   1.838    101

in DMSO-d6