2-(Hydroxymethyl)pyridine(586-98-1) MS
Product Name2-(Hydroxymethyl)pyridine
CAS586-98-1
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChIKey SHNUBALDGXWUJI-UHFFFAOYSA-N
SmilesC1(CO)=NC=CC=C1
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MassMS-NW-3076 2-pyridinemethanol C6H7NO (Mass of molecular ion: 109)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 26.0 3.7 27.0 8.9 28.0 4.4 29.0 3.9 31.0 5.8 37.0 2.0 38.0 3.5 39.0 8.7 40.0 1.1 41.0 1.0 49.0 1.7 50.0 8.8 51.0 21.4 52.0 29.3 53.0 21.7 54.0 1.8 62.0 1.2 63.0 2.8 64.0 3.1 65.0 4.8 75.0 1.0 76.0 1.3 78.0 32.4 79.0 32.9 80.0 58.3 81.0 4.2 91.0 1.0 92.0 2.0 106.0 2.6 107.0 1.1 108.0 100.0 109.0 54.4 110.0 3.8
400 MHz in CDCl3
90 MHz in CDCl3
parameter in DMSO-d6
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1H NMR 399.65 MHz C6 H7 N O 0.05 ml : 0.5 ml CDCl3 2-pyridinemethanol 
Assign. Shift(ppm)
A 8.454 B 7.653 C 7.374 D 7.147 E 5.4 F 4.750
Hz ppm Int.3382.69 8.465 137 3381.84 8.463 163 3380.98 8.460 173 3380.00 8.458 159 3377.81 8.452 145 3376.83 8.450 164 3376.10 8.448 170 3375.12 8.446 155 3067.63 7.676 142 3065.80 7.672 148 3059.81 7.657 247 3057.98 7.652 244 3052.25 7.638 170 3050.42 7.633 166 2951.54 7.386 176 2950.44 7.383 238 2949.46 7.381 183 2944.34 7.368 76 2943.73 7.366 152 2942.75 7.364 207 2941.53 7.361 156 2863.65 7.166 81 2863.04 7.164 147 2862.43 7.163 145 2861.82 7.161 151 2861.21 7.160 93 2858.03 7.152 141 2857.42 7.150 141 2856.81 7.149 146 2856.20 7.147 130 2855.47 7.145 148 2854.86 7.144 137 2854.25 7.142 136 2853.64 7.141 82 2851.20 7.135 69 2850.59 7.133 128 2849.98 7.132 123 2849.37 7.130 127 2848.75 7.129 73 1898.19 4.750 1000
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1H NMR 89.56 MHz C6 H7 N O 0.04 ml : 0.5 ml CDCl3 2-pyridinemethanol Assign. Shift(ppm)
A 8.49 B 7.65 C 7.34 D 7.17 E 4.85 F 4.752
Hz ppm Int.764.25 8.534 102 763.19 8.522 125 762.50 8.514 129 761.63 8.505 111 759.31 8.479 116 758.38 8.468 136 757.63 8.460 135 756.69 8.449 114 695.56 7.767 76 693.75 7.747 77 688.13 7.684 158 686.25 7.663 158 680.38 7.597 172 678.56 7.577 166 659.81 7.368 210 653.31 7.295 96 652.38 7.285 124 651.94 7.280 119 648.06 7.237 124 647.44 7.230 103 646.75 7.222 98 643.19 7.182 112 642.50 7.174 96 641.81 7.167 107 641.31 7.161 100 640.75 7.155 97 640.06 7.147 82 639.38 7.140 79 635.81 7.100 78 635.19 7.093 71 634.50 7.085 68 434.50 4.852 108 425.56 4.752 1000
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1H NMR 300 MHz C6 H7 N O 30 % in DMSO 2-pyridinemethanol Parameter ppm Hz
D(A) 8.65 D(B) 7.40 D(C) 8.05 D(D) 7.75 J(A,B) 4.6 J(A,C) 2.0 J(A,D) 1.2 J(B,C) 7.8 J(B,D) 1.0 J(C,D) 8.0 D(E) 4.81 D(F) 5.60 BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM. 66, 159 (1962)
Hz ppm Int.2598.89 8.663 51 2597.67 8.659 64 2596.99 8.657 65 2595.74 8.652 59 2594.31 8.648 59 2593.10 8.644 66 2592.38 8.641 65 2591.20 8.637 54 2424.13 8.080 40 2422.17 8.074 39 2416.27 8.054 86 2414.30 8.048 84 2408.36 8.028 52 2406.39 8.021 50 2329.85 7.766 65 2328.85 7.763 104 2327.81 7.759 65 2321.88 7.740 54 2320.84 7.736 87 2319.84 7.733 55 2226.56 7.422 55 2225.67 7.419 54 2221.98 7.407 55 2221.02 7.403 55 2218.83 7.396 53 2217.87 7.393 51 2214.18 7.381 50 2213.29 7.378 49 1680.01 5.600 1000 1442.98 4.810 667
in CDCl3
liquid film
