DIISOPROPANOLNITROSAMINE(53609-64-6) IR1

Product NameDIISOPROPANOLNITROSAMINE

CAS 53609-64-6

Molecular FormulaC6H14N2O3

Molecular Weight162.19

InChIInChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

InChIKey MNIGYIKCFSPQRJ-UHFFFAOYSA-N

SmilesN(CC(O)C)(CC(O)C)N=O

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-1911          
1,1'-(nitrosoimino)bis(2-propanol)
C6H14N2O3           (Mass of molecular ion:    162)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.2
      15.0      11.8
      18.0       4.1
      19.0       6.0
      26.0       1.0
      27.0      11.3
      28.0      10.6
      29.0       7.4
      30.0      19.5
      31.0      28.6
      36.0       2.3
      39.0       5.7
      40.0       1.4
      41.0      48.9
      42.0      80.9
      43.0      63.2
      44.0       8.6
      45.0     100.0
      46.0       2.4
      54.0       1.2
      55.0       2.1
      56.0       6.2
      57.0       3.7
      58.0      19.1
      59.0      32.7
      60.0       2.4
      68.0       2.2
      69.0       1.4
      70.0      77.1
      71.0       5.0
      72.0       3.1
      73.0       1.4
      74.0       1.3
      84.0       2.4
      86.0      25.1
      87.0       5.3
      88.0      64.1
      89.0       3.3
      97.0       1.1
      98.0       1.3
     100.0       1.8
     102.0       2.6
     105.0       4.0
     114.0       3.5
     116.0       1.5
     117.0       2.7
     126.0       1.7
     127.0       1.1
     128.0       1.0
     132.0       2.5
     144.0       4.1
     146.0       2.9
     160.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ N₂ O₃	0.04 ml : 0.5 ml CDCl₃
1,1'-(nitrosoimino)bis(2-propanol)

    Assign.     Shift(ppm)

      A             4.66
      B             4.23
      B             4.10
      C             4.366
      C             4.27
      C             4.008
      C             3.840
      D             3.964
      D             3.904
      D             3.366
      D             3.275
      E             1.263
      E             1.153

     Hz     ppm     Int.

   1861.45   4.658     69
   1754.03   4.389     96
   1751.22   4.382    113
   1739.87   4.354    111
   1737.18   4.347    126
   1722.78   4.311     65
   1714.36   4.290    110
   1709.35   4.278     61
   1701.05   4.257    174
   1698.61   4.251     82
   1695.68   4.243    107
   1692.50   4.235     94
   1689.33   4.228     99
   1686.40   4.220     99
   1683.84   4.214     58
   1652.71   4.136     57
   1649.29   4.127     62
   1646.61   4.121     95
   1643.43   4.113     87
   1640.50   4.105    113
   1637.33   4.097     91
   1634.16   4.089    105
   1631.47   4.083     73
   1627.93   4.074     64
   1608.89   4.026    109
   1606.45   4.020    123
   1599.00   4.002    115
   1595.95   3.994    168
   1593.14   3.987     88
   1585.57   3.968    126
   1582.89   3.961    114
   1572.02   3.934    120
   1563.11   3.912    107
   1557.98   3.899    108
   1549.07   3.877     95
   1543.21   3.862    101
   1540.41   3.855    107
   1529.66   3.828    118
   1526.86   3.821    113
   1356.32   3.394    100
   1347.41   3.372     99
   1342.77   3.360     91
   1333.98   3.338     88
   1319.95   3.303    105
   1310.91   3.281    102
   1306.52   3.270     98
   1297.49   3.247     91
    507.57   1.271   1000
    501.34   1.255    858
    464.60   1.163    732
    463.50   1.160    734
    458.25   1.147    707
    457.28   1.145    694

in CDCl3