3-Pyridinemethanol(100-55-0) 1H NMR
Product Name3-Pyridinemethanol
CAS100-55-0
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey MVQVNTPHUGQQHK-UHFFFAOYSA-N
SmilesC1=NC=CC=C1CO
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MassMS-NW-1119 3-pyridinemethanol C6H7NO (Mass of molecular ion: 109)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.7 26.0 4.7 27.0 13.6 28.0 5.6 29.0 7.4 31.0 8.2 37.0 3.5 38.0 7.1 39.0 23.5 40.0 2.2 41.0 3.2 49.0 2.4 50.0 12.1 51.0 23.9 52.0 16.0 53.0 34.4 54.0 7.5 55.0 4.9 61.0 1.4 62.0 2.6 63.0 7.7 64.0 9.9 65.0 14.6 66.0 1.7 75.0 1.0 76.0 1.1 78.0 15.6 79.0 9.4 80.0 88.3 81.0 14.7 82.0 1.8 91.0 20.1 92.0 9.7 93.0 2.0 106.0 3.5 107.0 2.9 108.0 94.9 109.0 100.0 110.0 6.9
90 MHz in CDCl3
parameter in DMSO-d6
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1H NMR 89.56 MHz C6 H7 N O 0.04 ml : 0.5 ml CDCl3 3-pyridinemethanol 
Assign. Shift(ppm)
A 8.439 B 8.360 C 7.708 D 7.259 E 5.531 F 4.67
Hz ppm Int.757.19 8.455 248 756.44 8.447 252 755.63 8.438 231 755.00 8.431 281 754.25 8.422 250 751.88 8.396 194 750.19 8.377 198 747.00 8.341 199 745.31 8.322 205 696.94 7.782 83 695.19 7.763 125 694.69 7.757 122 693.00 7.738 83 689.06 7.694 122 687.44 7.676 180 686.81 7.669 173 686.19 7.662 107 685.13 7.650 110 655.75 7.322 236 654.94 7.313 164 650.88 7.268 163 650.06 7.259 147 648.00 7.236 126 647.13 7.226 115 643.06 7.181 116 642.31 7.172 103 495.38 5.532 351 418.56 4.674 1000
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1H NMR 300 MHz C6 H7 N O 30 % in DMSO 3-pyridinemethanol Parameter ppm Hz
D(A) 8.70 D(B) 7.90 D(C) 7.42 D(D) 8.55 J(A,B) 2.0 J(A,C) 1.0 J(A,D) 0.0 J(B,C) 7.1 J(B,D) 1.4 J(C,D) 4.4 D(E) 4.69 D(F) 5.58 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2611.45 8.705 162 2610.51 8.702 182 2609.53 8.698 184 2608.59 8.695 165 2567.91 8.560 140 2566.56 8.555 144 2563.51 8.545 146 2562.16 8.541 145 2375.34 7.918 73 2373.80 7.913 98 2371.95 7.906 73 2368.23 7.894 82 2366.69 7.889 109 2364.88 7.883 78 2232.09 7.440 83 2231.23 7.437 84 2227.73 7.426 84 2226.79 7.423 86 2225.06 7.417 82 2224.12 7.414 78 2220.62 7.402 74 2219.72 7.399 73 1673.99 5.580 500 1407.01 4.690 1000
in CDCl3
liquid film
