30315-46-9

S-(-)-3-叔丁胺基-1,2-丙二醇(30315-46-9)質(zhì)譜(MS)

產(chǎn)品名稱:S-(-)-3-叔丁胺基-1,2-丙二醇

CAS:30315-46-9

分子式:C7H17NO2

分子量: 147.22

InChI:InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1

InChIKey: JWBMVCAZXJMSOX-LURJTMIESA-N

Smiles:C(O)[C@@H](O)CNC(C)(C)C

Mass

MS-KW-0281          
(S)-(-)-3-(tert-butylamino)-1,2-propanediol
C7H17NO2            (Mass of molecular ion:    147)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.3
      17.0       2.1
      18.0      10.0
      26.0       1.3
      27.0       5.8
      28.0       9.1
      29.0      16.2
      30.0     100.0
      31.0       4.5
      39.0       6.9
      40.0       1.6
      41.0      25.8
      42.0      12.7
      43.0       5.0
      44.0       5.0
      45.0       1.1
      53.0       1.0
      54.0       1.7
      55.0       6.7
      56.0       7.6
      57.0      40.4
      58.0      17.4
      59.0       1.2
      60.0      21.8
      70.0      16.2
      71.0       2.0
      72.0       2.8
      73.0       1.1
      84.0       8.0
      85.0       1.3
      86.0      36.1
      87.0       2.2
      96.0       1.2
     114.0       4.7
     116.0       2.3
     132.0      21.1
     133.0       1.5

in CDCl3

¹H NMR	399.65 MHz
C₇H₁₇NO₂	0.039 g : 0.5 ml CDCl₃
(S)-(-)-3-(tert-butylamino)-1,2-propanediol

    Assign.     Shift(ppm)

     A           3.95
     B           3.76
     C *1        3.652
     D *1        3.590
     E *2        2.726
     F *2        2.617
     G           1.114

     Hz     ppm     Int.

   1578.62   3.949     42
   1502.08   3.758     26
   1469.37   3.676     23
   1465.70   3.667     21
   1458.01   3.648     42
   1454.35   3.638     38
   1441.41   3.606     40
   1436.04   3.593     37
   1430.06   3.578     24
   1424.81   3.564     20
   1098.52   2.748     25
   1094.85   2.739     26
   1086.92   2.719     39
   1083.26   2.710     36
   1054.45   2.638     36
   1047.12   2.620     36
   1042.85   2.609     27
   1035.41   2.590     24
    507.57   1.270      8
    445.44   1.115   1000

in CDCl3