1-NITROPENTANE(628-05-7) Raman
Product Name1-NITROPENTANE
CAS628-05-7
Molecular FormulaC5H11NO2
Molecular Weight117.15
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MassMS-NW-7424 1-nitropentane C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.7 27.0 21.2 28.0 3.8 29.0 27.9 30.0 5.6 31.0 2.7 38.0 1.2 39.0 14.9 40.0 2.9 41.0 52.1 42.0 19.3 43.0 100.0 44.0 3.7 45.0 7.8 46.0 1.8 51.0 1.0 53.0 2.5 54.0 1.0 55.0 19.4 56.0 3.0 57.0 1.9 59.0 2.6 60.0 1.8 62.0 9.8 67.0 1.0 69.0 12.0 70.0 6.5 71.0 19.9 72.0 1.3 88.0 3.3
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 N O2 0.05 ml : 0.5 ml CDCl3 1-nitropentane 
Assign. Shift(ppm)
A 4.379 B 2.01 C 1.5 to 1.24 D 0.92 400MHZ:HSP-41-351
Hz ppm Int.399.38 4.460 482 396.88 4.432 91 392.44 4.382 1000 389.13 4.345 96 385.38 4.304 537 194.50 2.172 54 193.19 2.158 53 187.31 2.092 190 186.00 2.077 163 185.19 2.068 155 180.31 2.014 290 178.06 1.989 195 176.31 1.969 169 175.25 1.957 172 173.31 1.936 223 169.00 1.888 83 168.00 1.876 77 166.25 1.857 85 163.50 1.826 38 162.00 1.809 32 161.31 1.802 30 141.25 1.578 34 140.69 1.571 36 140.06 1.564 35 139.63 1.560 36 138.94 1.552 39 138.63 1.548 42 137.63 1.537 46 136.50 1.525 63 131.69 1.471 191 128.38 1.434 489 125.13 1.398 570 124.50 1.391 570 120.94 1.351 703 119.44 1.334 450 117.38 1.311 381 114.38 1.278 279 108.75 1.215 74 108.31 1.210 75 107.13 1.197 62 106.38 1.188 68 104.38 1.166 56 103.81 1.160 53 103.38 1.155 51 103.00 1.151 51 102.38 1.144 47 101.56 1.134 47 101.00 1.128 46 100.00 1.117 42 99.06 1.107 42 98.75 1.103 42 97.94 1.094 40 96.81 1.081 50 96.50 1.078 50 95.69 1.069 52 89.06 0.995 391 87.19 0.974 332 82.69 0.924 830 79.50 0.888 272 77.44 0.865 262 77.31 0.864 262 76.88 0.859 261 73.06 0.816 98 69.31 0.774 32
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1H NMR 399.65 MHz C5 H11 N O2 0.05 ml : 0.5 ml CDCl3 1-nitropentane Assign. Shift(ppm)
A 4.389 B 2.015 C 1.39 D 1.36 E 0.926
Hz ppm Int.1767.46 4.423 40 1761.23 4.407 511 1754.15 4.390 1000 1747.07 4.372 530 819.46 2.051 68 812.26 2.033 197 809.81 2.027 141 807.62 2.021 159 805.05 2.015 282 802.73 2.009 176 800.66 2.004 145 797.85 1.997 207 790.65 1.979 68 567.26 1.420 43 560.67 1.403 109 554.69 1.388 549 551.27 1.380 509 547.36 1.370 820 544.31 1.362 391 540.16 1.352 282 537.96 1.347 115 533.33 1.335 61 529.17 1.325 34 385.74 0.966 35 385.13 0.964 35 381.59 0.955 59 376.95 0.944 355 374.27 0.937 249 370.00 0.926 902 367.19 0.919 302 364.99 0.914 219 362.92 0.909 344 356.32 0.892 39
in CDCl3
liquid film
4880 A,200 M,liquid
