4-Quinolinecarboxaldehyde(4363-93-3) IR1
Product Name4-Quinolinecarboxaldehyde
CAS4363-93-3
Molecular FormulaC10H7NO
Molecular Weight157.17
InChIInChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
InChIKey MGCGJBXTNWUHQE-UHFFFAOYSA-N
SmilesN1C2C(=CC=CC=2)C(C=O)=CC=1
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MassMS-NW-8916 4-quinolinecarbaldehyde C10H7NO (Mass of molecular ion: 157)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.9 38.0 1.1 39.0 2.5 50.0 6.7 51.0 12.8 52.0 2.8 62.0 2.4 63.0 4.0 64.0 2.1 64.5 3.7 74.0 8.0 75.0 22.4 76.0 8.7 77.0 4.2 78.0 2.8 78.5 1.7 98.0 1.3 99.0 1.4 100.0 2.4 101.0 27.5 102.0 26.9 103.0 6.0 127.0 1.4 128.0 54.5 129.0 76.3 130.0 7.8 156.0 8.4 157.0 100.0 158.0 12.0 159.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H7 N O 0.038 g : 0.5 ml CDCl3 4-quinolinecarbaldehyde 
Assign. Shift(ppm)
A 10.498 B 9.182 C 8.996 D 8.208 E 7.811 F 7.768 G 7.721
Hz ppm Int.4194.79 10.497 1000 3671.88 9.188 381 3667.76 9.178 391 3600.77 9.010 176 3600.31 9.009 185 3599.55 9.007 189 3591.92 8.988 191 3591.00 8.986 198 3285.52 8.221 178 3284.61 8.219 188 3276.98 8.200 201 3276.21 8.198 207 3130.80 7.834 119 3129.27 7.831 131 3123.78 7.817 175 3122.41 7.813 261 3120.88 7.810 120 3115.39 7.796 169 3113.86 7.792 161 3106.69 7.774 473 3102.57 7.764 470 3093.57 7.741 166 3092.19 7.738 173 3086.70 7.724 118 3085.02 7.720 246 3083.65 7.716 173 3078.16 7.703 119 3076.78 7.699 117
in CDCl3
KBr disc
nujol mull
