2,4-Quinolinediol(86-95-3) 13C NMR
Product Name2,4-Quinolinediol
CAS86-95-3
Molecular FormulaC9H7NO2
Molecular Weight161.16
InChIInChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)
InChIKey HDHQZCHIXUUSMK-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(O)=CC1=O
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MassMS-NW-7010 2,4-quinolinediol C9H7NO2 (Mass of molecular ion: 161)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.3 18.0 5.5 27.0 1.4 28.0 1.8 37.0 2.3 38.0 4.3 39.0 6.1 40.0 1.0 41.0 2.2 42.0 1.9 50.0 5.3 51.0 7.3 52.0 5.5 53.0 1.5 61.0 2.1 62.0 3.8 63.0 9.8 64.0 10.8 65.0 9.4 66.0 4.8 69.0 3.9 74.0 2.2 75.0 2.1 76.0 3.7 77.0 8.9 78.0 3.3 88.0 1.0 89.0 1.8 90.0 3.3 91.0 6.7 92.0 34.4 93.0 3.0 104.0 7.1 105.0 11.8 106.0 1.1 119.0 67.7 120.0 35.4 121.0 3.0 132.0 5.1 133.0 9.6 134.0 1.0 161.0 100.0 162.0 10.4 163.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H7 N O2 saturated in DMSO-d6 2,4-quinolinediol 
Assign. Shift(ppm)
A 11.0 B 7.801 C 7.481 D 7.294 E 7.138 F 5.810
Hz ppm Int.4435.19 11.098 79 3122.62 7.814 253 3121.34 7.811 258 3114.56 7.794 278 3113.28 7.791 269 2998.99 7.505 135 2997.52 7.501 133 2991.84 7.487 194 2990.56 7.483 281 2989.28 7.480 189 2983.60 7.466 192 2982.13 7.462 178 2918.94 7.304 327 2910.88 7.284 270 2860.69 7.158 189 2859.60 7.156 174 2853.37 7.140 240 2852.64 7.138 322 2851.72 7.136 207 2845.49 7.120 168 2844.58 7.118 149 2322.18 5.811 1000
DMSO-d6
KBr disc
nujol mull
