BUTYL PYRIDINE-2-CARBOXYLATE(5340-88-5) MS
Product NameBUTYL PYRIDINE-2-CARBOXYLATE
CAS5340-88-5
Molecular FormulaC10H13NO2
Molecular Weight179.22
InChIInChI=1S/C10H13NO2/c1-2-3-8-13-10(12)9-6-4-5-7-11-9/h4-7H,2-3,8H2,1H3
InChIKey HZUPDAXALKWCGX-UHFFFAOYSA-N
SmilesC1(C(OCCCC)=O)=NC=CC=C1
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MassMS-NW-5812 butyl 2-pyridinecarboxylate C10H13NO2 (Mass of molecular ion: 179)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 26.0 2.7 27.0 14.7 28.0 4.7 29.0 24.0 31.0 2.1 38.0 1.3 39.0 7.4 40.0 1.1 41.0 22.6 42.0 1.8 43.0 2.3 44.0 1.8 50.0 5.6 51.0 23.2 52.0 12.1 53.0 2.3 55.0 3.3 56.0 9.0 57.0 5.1 76.0 1.7 77.0 2.2 78.0 96.7 79.0 100.0 80.0 11.4 93.0 7.1 106.0 69.5 107.0 24.9 108.0 2.1 121.0 1.5 124.0 22.7 125.0 1.7 134.0 1.9 135.0 2.9 137.0 1.0 150.0 1.6 151.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H13 N O2 0.04 ml : 0.5 ml CDCl3 butyl 2-pyridinecarboxylate 
Assign. Shift(ppm)
A 8.768 B 8.120 C 7.849 D 7.480 E 4.424 F 1.82 G 1.48 J 0.98
Hz ppm Int.789.06 8.811 195 788.13 8.801 225 787.31 8.791 228 786.38 8.781 231 784.38 8.759 218 783.50 8.749 246 782.63 8.739 237 781.69 8.729 234 733.38 8.189 194 732.38 8.178 227 731.94 8.173 226 731.00 8.163 202 725.56 8.102 349 724.63 8.092 410 724.13 8.086 384 723.19 8.075 340 710.94 7.939 292 709.19 7.919 288 703.44 7.855 421 701.63 7.835 399 695.63 7.768 240 693.81 7.747 230 675.81 7.546 325 674.38 7.530 334 671.13 7.494 291 669.69 7.478 301 668.31 7.463 212 666.88 7.447 199 663.56 7.410 201 662.19 7.394 188 403.38 4.505 404 396.75 4.430 1000 390.06 4.356 563 171.38 1.914 115 170.13 1.900 128 167.75 1.874 82 167.19 1.867 72 163.25 1.823 273 162.13 1.811 150 160.94 1.798 150 156.38 1.747 257 154.19 1.722 104 153.69 1.717 95 149.81 1.673 184 148.75 1.661 109 144.00 1.608 121 143.00 1.597 127 142.13 1.587 159 137.88 1.540 157 135.88 1.518 162 134.69 1.504 217 132.88 1.484 91 131.94 1.474 83 130.38 1.456 152 127.88 1.428 207 127.06 1.419 157 124.06 1.386 75 121.19 1.354 182 120.13 1.342 114 114.63 1.280 80 94.94 1.061 307 94.06 1.051 522 89.56 1.000 75 87.38 0.976 906 83.19 0.929 90 81.13 0.906 170 80.00 0.894 229 78.31 0.875 123
in CDCl3
liquid film
