3-(3-PYRIDYL)ACRYLIC ACID(19337-97-4) IR1
Product Name3-(3-PYRIDYL)ACRYLIC ACID
CAS19337-97-4
Molecular FormulaC8H7NO2
Molecular Weight149.15
InChIInChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+
InChIKey VUVORVXMOLQFMO-ONEGZZNKSA-N
SmilesC(O)(=O)/C=C/C1=CC=CN=C1
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MassMS-IW-4913 trans-3-(3-pyridyl)acrylic acid C8H7NO2 (Mass of molecular ion: 149)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.6 26.0 1.9 27.0 3.0 28.0 3.0 37.0 2.2 38.0 4.7 39.0 6.8 40.0 1.8 45.0 3.7 46.5 3.6 49.0 1.8 50.0 18.0 51.0 33.2 52.0 11.2 53.0 2.2 55.0 1.2 62.0 1.4 63.0 2.8 64.0 1.1 65.0 4.9 66.0 6.6 67.0 2.7 68.0 1.2 73.0 1.0 74.0 4.6 75.0 5.2 76.0 12.4 77.0 19.6 78.0 13.8 79.0 9.1 80.0 1.7 92.0 7.2 93.0 11.7 94.0 2.8 95.0 1.6 102.0 3.0 103.0 34.5 104.0 35.2 105.0 3.9 106.0 1.6 108.0 1.6 120.0 40.0 121.0 36.9 122.0 3.0 131.0 14.3 132.0 24.7 133.0 2.3 148.0 27.6 149.0 100.0 150.0 9.9
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C8 H7 N O2 0.038 g : 0.5 ml DMSO-d6 trans-3-(3-pyridyl)acrylic acid 
Assign. Shift(ppm)
A 12.6 B 8.870 C 8.600 D 8.159 E 7.644 F 7.46 G 6.713 J(E,G)=16.1HZ. J(C,F)=4.7HZ. J(B,D)=1.8HZ. J(C,D)=1.7HZ. J(D,F)=8.0HZ.
Hz ppm Int.795.45 8.882 319 793.57 8.861 360 773.66 8.639 232 772.12 8.622 282 768.96 8.586 279 767.33 8.568 295 737.00 8.230 138 735.29 8.211 224 733.50 8.191 142 733.07 8.186 132 729.05 8.141 182 727.26 8.121 291 725.55 8.102 164 725.12 8.097 171 694.27 7.753 384 678.13 7.572 572 674.19 7.528 246 673.85 7.525 248 669.41 7.475 215 669.07 7.471 218 665.82 7.435 196 661.04 7.381 180 607.80 6.787 1000 591.65 6.607 696
in DMSO-d6
KBr disc
nujol mull
