5259-98-3

5-氯-1-戊醇(5259-98-3)核磁图(¹HNMR)

产品名称:5-氯-1-戊醇

CAS:5259-98-3

分子式:C5H11ClO

分子量: 122.59

InChI:InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2

InChIKey: DCBJCKDOZLTTDW-UHFFFAOYSA-N

Smiles:C(O)CCCCCl

Mass

MS-NW-7635          
5-chloro-1-pentanol
C5H11ClO            (Mass of molecular ion:    122)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.3
      17.0       1.3
      18.0       5.9
      19.0       1.4
      26.0       3.7
      27.0      28.8
      28.0      20.5
      29.0      30.6
      30.0       2.0
      31.0      56.8
      36.0       2.5
      38.0       1.7
      39.0      19.6
      40.0       5.5
      41.0      78.8
      42.0      35.3
      43.0      10.5
      44.0      14.9
      45.0      18.7
      49.0       4.7
      50.0       1.0
      51.0       1.8
      53.0       7.5
      54.0       5.7
      55.0     100.0
      56.0      58.6
      57.0      13.4
      58.0       3.9
      62.0       2.4
      63.0       7.2
      65.0       2.5
      67.0      17.7
      68.0      82.9
      69.0      26.2
      70.0       1.7
      71.0       1.4
      75.0       2.7
      76.0       5.2
      77.0       1.2
      78.0       1.6
      85.0      11.6
      86.0       9.4
      87.0       1.5
      90.0       1.2
      91.0      22.3
      92.0       1.5
      93.0       7.5
     104.0       2.4
     105.0       3.0
     107.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₁₁ Cl O	0.05 ml : 0.5 ml DMSO-d₆
5-chloro-1-pentanol

    Assign.     Shift(ppm)

      A             4.77
      B             3.618
      C             3.398
      D             1.720
      E             1.42

     Hz     ppm     Int.

   1906.37   4.771   1000
   1452.76   3.636    324
   1446.17   3.619    603
   1439.45   3.602    304
   1364.26   3.414    187
   1358.40   3.399    444
   1352.42   3.385    239
    701.17   1.755     58
    694.46   1.738    169
    687.50   1.721    235
    680.79   1.704    166
    673.95   1.687     53
    590.33   1.478     32
    587.65   1.471     38
    580.93   1.454     93
    572.02   1.432    407
    569.09   1.424    395
    565.67   1.416    355
    560.67   1.403    174
    556.88   1.394     94
    553.34   1.385     61

in DMSO-d6

in CDCl3