Isoamyl nitrite(110-46-3) IR1
Product NameIsoamyl nitrite
CAS110-46-3
Molecular FormulaC5H11NO2
Molecular Weight117.15
InChIInChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
InChIKey OWFXIOWLTKNBAP-UHFFFAOYSA-N
SmilesN(=O)OCCC(C)C
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MassMS-IW-3461 isopentyl nitrite C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.0 26.0 2.2 27.0 29.5 28.0 9.0 29.0 87.0 30.0 52.4 31.0 8.8 37.0 1.0 38.0 2.6 39.0 30.3 40.0 4.6 41.0 99.8 42.0 23.3 43.0 70.3 44.0 7.0 45.0 8.2 46.0 1.1 50.0 1.1 51.0 1.4 53.0 3.1 55.0 22.6 56.0 7.0 57.0 100.0 58.0 6.6 60.0 87.2 61.0 1.5 69.0 9.6 70.0 13.8 71.0 39.9 72.0 3.5 85.0 4.3 86.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 N O2 0.04 ml : 0.5 ml CDCl3 isopentyl nitrite 
Assign. Shift(ppm)
A 4.719 B 1.92 to 1.43 C 0.95
Hz ppm Int.429.31 4.794 154 427.13 4.770 32 426.63 4.764 32 425.38 4.750 31 422.63 4.719 255 419.81 4.688 44 416.00 4.645 144 156.00 1.742 41 154.88 1.730 74 153.75 1.717 81 152.63 1.705 117 149.44 1.669 107 147.56 1.648 193 145.94 1.630 183 144.69 1.616 83 144.19 1.610 87 143.13 1.599 100 140.88 1.574 138 139.31 1.556 77 135.56 1.514 46 133.75 1.494 34 87.88 0.982 1000 85.69 0.957 335 83.88 0.937 212 82.06 0.917 798
in CDCl3
CCl4 solution
liquid film
