3-BUTYLPYRIDINE(539-32-2) MS
Product Name3-BUTYLPYRIDINE
CAS539-32-2
Molecular FormulaC9H13N
Molecular Weight135.21
InChIInChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChIKey QSNMFWFDOFQASV-UHFFFAOYSA-N
SmilesC1=NC=CC=C1CCCC
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MassMS-NW-7375 3-butylpyridine C9H13N (Mass of molecular ion: 135)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.2 29.0 1.4 38.0 1.5 39.0 13.5 40.0 1.4 41.0 6.2 43.0 10.1 50.0 2.6 51.0 6.4 52.0 3.7 53.0 2.4 63.0 3.4 64.0 1.8 65.0 20.8 66.0 4.6 67.0 1.8 77.0 5.0 78.0 4.8 79.0 4.8 80.0 2.4 91.0 1.7 92.0 100.0 93.0 88.7 94.0 6.4 104.0 1.9 105.0 1.5 106.0 13.7 107.0 3.3 117.0 1.4 118.0 1.2 120.0 2.7 134.0 2.2 135.0 73.2 136.0 7.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H13 N 0.05 ml : 0.5 ml CDCl3 3-butylpyridine 
Assign. Shift(ppm)
A 8.45 B 8.42 C 7.46 D 7.18 E 2.590 F 1.58 G 1.34 J 0.933
Hz ppm Int.757.25 8.456 585 755.44 8.436 576 752.56 8.403 316 750.81 8.384 277 748.19 8.355 47 675.25 7.540 116 674.56 7.532 96 673.50 7.521 165 671.19 7.495 112 667.44 7.453 215 666.75 7.445 177 665.63 7.433 301 665.19 7.428 279 663.94 7.414 160 663.38 7.408 185 648.56 7.242 270 647.75 7.233 237 646.19 7.216 57 643.81 7.189 253 643.00 7.180 234 640.81 7.156 174 639.94 7.146 151 636.06 7.103 150 635.31 7.094 136 240.13 2.682 219 233.06 2.603 440 228.56 2.553 101 225.31 2.516 368 159.13 1.777 50 157.31 1.757 59 151.38 1.691 163 148.81 1.662 173 145.19 1.622 232 145.06 1.620 232 144.56 1.615 221 143.69 1.605 214 142.63 1.593 208 140.75 1.572 212 138.00 1.541 248 136.75 1.527 287 135.38 1.512 232 134.44 1.502 217 132.69 1.482 196 130.81 1.461 331 129.44 1.446 234 126.31 1.411 188 124.81 1.394 237 123.13 1.375 222 119.56 1.335 176 118.94 1.329 173 118.19 1.320 169 116.63 1.303 233 114.75 1.282 127 113.31 1.266 110 110.19 1.231 184 106.69 1.192 45 105.88 1.183 47 103.75 1.159 99 89.38 0.998 556 82.94 0.927 1000 77.06 0.861 216 75.56 0.844 244 73.69 0.823 119
in CDCl3
liquid film
