4-Pyridineacetic acid hydrochloride(6622-91-9) 13C NMR
Product Name4-Pyridineacetic acid hydrochloride
CAS6622-91-9
Molecular FormulaC7H8ClNO2
Molecular Weight173.6
InChIInChI=1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H
InChIKey WKJRYVOTVRPAFN-UHFFFAOYSA-N
SmilesC1(CC(=O)O)C=CN=CC=1.Cl
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MassMS-KW-0590 4-pyridylacetic acid hydrochloride C7H7NO2 HCl (Mass of molecular ion: 137)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.9 26.0 1.9 27.0 2.2 28.0 5.0 35.0 3.3 36.0 44.1 37.0 2.8 38.0 17.1 39.0 19.4 40.0 8.4 41.0 3.3 44.0 49.7 45.0 2.8 45.5 1.4 46.0 1.8 50.0 3.6 51.0 6.7 52.0 4.9 53.0 5.1 54.0 7.4 61.0 1.0 62.0 1.9 63.0 5.6 64.0 4.0 65.0 27.9 66.0 37.8 67.0 9.5 78.0 3.6 80.0 1.0 91.0 2.2 92.0 35.9 93.0 100.0 94.0 7.3 137.0 28.6 138.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7H8ClNO2 0.040 g : 0.5 ml DMSO-d6 4-pyridylacetic acid hydrochloride 
Assign. Shift(ppm)
A 8.922 B 8.059 C 4.100
Hz ppm Int.3570.07 8.931 475 3563.36 8.914 476 3224.98 8.067 496 3218.27 8.051 459 1638.80 4.100 1000
in DMSO-d6
