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Back ChemicalBook Home>CAS DataBase List>30315-46-9More Spectrum> (S)-3-tert-Butylamino-1,2-propanediol(30315-46-9) IR1

(S)-3-tert-Butylamino-1,2-propanediol(30315-46-9) IR1

Molecular FormulaC7H17NO2

Molecular Weight147.22

InChIInChI=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

SmilesC(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
    ChemicalStructure
        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



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(S)-3-tert-Butylamino-1,2-propanediol(30315-46-9) IR1 Atlas of Related Products

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