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2-METHYL-3-BUTENENITRILE(16529-56-9) 1H NMR
Product Name2-METHYL-3-BUTENENITRILE
CAS16529-56-9
Molecular FormulaC5H7N
Molecular Weight81.12
InChIInChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3
InChIKey WBAXCOMEMKANRN-UHFFFAOYSA-N
SmilesC(#N)C(C)C=C
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MassMS-IW-9170 2-methyl-3-butenenitrile C5H7N (Mass of molecular ion: 81)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.2 26.0 10.5 27.0 29.0 28.0 30.6 29.0 4.5 37.0 6.4 38.0 9.5 39.0 51.4 40.0 6.6 41.0 77.9 42.0 6.2 49.0 1.9 50.0 6.2 51.0 9.6 52.0 14.7 53.0 28.6 54.0 100.0 55.0 9.6 63.0 1.7 64.0 5.9 65.0 2.6 66.0 43.0 67.0 2.2 75.0 1.1 79.0 1.3 80.0 19.5 81.0 45.7 82.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H7 N 0.05 ml : 0.5 ml CDCl3 2-methyl-3-butenenitrile 
Assign. Shift(ppm)
A 5.768 B 5.424 C 5.261 D 3.355 E 1.417
Hz ppm Int.2322.63 5.812 96 2317.02 5.798 96 2312.50 5.787 105 2306.88 5.773 111 2305.54 5.769 125 2300.05 5.756 121 2295.41 5.744 128 2289.92 5.730 130 2176.15 5.446 193 2174.80 5.442 185 2174.44 5.441 184 2159.06 5.403 149 2157.71 5.399 150 2108.03 5.275 178 2106.93 5.272 178 2097.90 5.250 161 2096.80 5.247 160 1354.49 3.390 31 1348.88 3.376 75 1347.29 3.372 100 1345.70 3.368 55 1343.26 3.362 56 1341.67 3.358 128 1340.09 3.354 126 1338.50 3.350 56 1336.06 3.344 53 1334.47 3.340 100 1332.89 3.336 74 1327.27 3.322 31 570.31 1.428 1000 562.99 1.409 962
in CDCl3
