1-氯-2-丙醇(127-00-4)質(zhì)譜(MS)

產(chǎn)品名稱:1-氯-2-丙醇

CAS:127-00-4

分子式:C3H7ClO

分子量: 94.54

InChI:InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3

InChIKey: YYTSGNJTASLUOY-UHFFFAOYSA-N

Smiles:C(Cl)C(O)C

Mass

MS-IW-1369          
1-chloro-2-propanol
C3H7ClO             (Mass of molecular ion:     94)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       4.9
      18.0       1.6
      19.0       6.3
      26.0       1.5
      27.0      12.8
      28.0       3.7
      29.0       7.1
      31.0      43.9
      36.0       1.7
      38.0       1.0
      39.0       3.5
      41.0       6.6
      42.0       1.9
      43.0      20.5
      44.0       1.7
      45.0     100.0
      46.0       3.2
      49.0       3.0
      51.0       1.0
      57.0       3.1
      58.0       2.6
      59.0       1.2
      62.0       4.2
      63.0       3.8
      64.0       1.4
      65.0       3.6
      77.0       1.6
      79.0      14.9
      81.0       4.8
      93.0       1.1
      95.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃ H₇ Cl O	0.05 ml : 0.5 ml CDCl₃
1-chloro-2-propanol

    Assign.     Shift(ppm)

      A             4.01
      B     *1      3.567
      C     *1      3.472
      D             3.22
      E             1.272
     
     J(A,B)=4.0HZ
     J(A,C)=6.7HA
     J(B,C)=-11.0HZ

     Hz     ppm     Int.

   1608.28   4.025     41
   1605.10   4.017     52
   1602.17   4.009     60
   1598.75   4.001     54
   1595.95   3.994     44
   1592.41   3.985     31
   1434.33   3.589    181
   1430.30   3.579    177
   1423.34   3.562    294
   1419.31   3.552    275
   1395.39   3.492    384
   1388.67   3.475    337
   1384.40   3.465    246
   1377.69   3.448    237
   1284.67   3.215    100
    511.47   1.280   1000
    508.06   1.272     46
    505.13   1.264    959

in CDCl3