DIISOPROPANOLNITROSAMINE(53609-64-6) MS
Product NameDIISOPROPANOLNITROSAMINE
CAS53609-64-6
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
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MassMS-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
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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
liquid film
