4-Pyridylcarbinol(586-95-8) 13C NMR
Product Name4-Pyridylcarbinol
CAS586-95-8
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChIKey PTMBWNZJOQBTBK-UHFFFAOYSA-N
SmilesC1=NC=CC(CO)=C1
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MassMS-NW-2616 4-pyridinemethanol C6H7NO (Mass of molecular ion: 109)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 4.8 27.0 9.2 28.0 6.8 29.0 7.0 31.0 9.2 37.0 3.5 38.0 5.4 39.0 17.7 40.0 1.8 41.0 2.0 43.0 1.5 49.0 3.1 50.0 16.7 51.0 34.3 52.0 21.7 53.0 29.7 54.0 8.6 55.0 3.7 61.0 1.3 62.0 2.2 63.0 6.7 64.0 6.6 65.0 8.5 66.0 1.3 75.0 1.3 76.0 1.1 78.0 15.0 79.0 11.7 80.0 94.5 81.0 10.9 82.0 1.4 91.0 5.9 92.0 4.4 93.0 2.1 106.0 3.8 107.0 5.7 108.0 70.8 109.0 100.0 110.0 7.1
parameter in DMSO-d6
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1H NMR 300 MHz C6 H7 N O 30 % in DMSO 4-pyridinemethanol 
Parameter ppm Hz
D(A) 8.66 D(B) 7.52 D(C) 4.74 J(A,A') 0.4 J(A,B) 5.0 J(A,B') 0.8 J(A,C) 0.0 J(A',B) 0.8 J(A',B') 5.0 J(A',C) 0.0 J(B,B') 1.4 J(B,C) 0.7 J(B',C) 0.7 D(D) 5.18 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2600.91 8.670 501 2599.59 8.665 302 2596.47 8.655 301 2595.15 8.650 520 2258.85 7.529 380 2253.20 7.511 369 1554.00 5.180 746 1422.02 4.740 1000
in DMSO-d6
KBr disc
nujol mull
