3-Quinolinecarboxylic acid(6480-68-8) Raman
Product Name3-Quinolinecarboxylic acid
CAS6480-68-8
Molecular FormulaC10H7NO2
Molecular Weight173.17
InChIInChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
InChIKey DJXNJVFEFSWHLY-UHFFFAOYSA-N
SmilesN1C2C(=CC=CC=2)C=C(C(O)=O)C=1
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MassMS-NW-7168 3-quinolinecarboxylic acid C10H7NO2 (Mass of molecular ion: 173)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.8 18.0 9.0 27.0 1.1 28.0 1.5 37.0 1.3 38.0 2.0 39.0 2.7 45.0 1.8 49.0 1.3 50.0 8.0 50.5 1.1 51.0 9.2 52.0 2.1 53.0 1.0 61.0 1.5 62.0 2.8 63.0 4.5 64.0 6.2 64.5 1.0 73.0 1.1 74.0 6.4 75.0 12.8 76.0 5.3 77.0 3.6 77.5 2.2 78.0 2.4 86.5 4.2 87.0 1.3 89.0 2.8 90.0 2.0 98.0 1.2 99.0 1.7 100.0 3.4 101.0 20.6 102.0 4.9 103.0 1.1 117.0 1.2 127.0 33.3 128.0 43.9 129.0 5.8 144.0 1.5 145.0 1.5 155.0 32.2 156.0 24.7 157.0 3.2 172.0 1.0 173.0 100.0 174.0 12.1 175.0 1.1
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C10 H7 N O2 0.048 g : 0.5 ml DMSO-d6 3-quinolinecarboxylic acid 
Assign. Shift(ppm)
A 13. B 9.398 C 9.017 D 8.23 E 8.14 F *1 7.95 G *1 7.75 D,E,F AND G WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.842.87 9.412 920 840.72 9.388 1000 808.79 9.031 941 808.30 9.026 949 806.64 9.007 874 741.70 8.282 431 740.63 8.270 416 739.84 8.261 428 736.52 8.224 387 734.28 8.199 925 732.03 8.174 657 728.13 8.131 751 727.34 8.122 822 726.56 8.113 750 724.02 8.085 135 722.46 8.067 106 721.97 8.062 108 719.82 8.038 495 718.16 8.019 576 715.92 7.994 123 713.18 7.964 887 711.52 7.945 661 709.77 7.926 260 707.91 7.905 92 704.88 7.871 507 703.03 7.850 431 700.78 7.825 658 699.22 7.808 592 696.97 7.783 108 696.09 7.773 98 694.04 7.750 371 692.77 7.736 520 691.31 7.719 440 688.09 7.684 70 686.23 7.663 245 684.67 7.645 220
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1H NMR 399.65 MHz C10 H7 N O2 0.039 g : 0.5 ml DMSO-d6 3-quinolinecarboxylic acid Assign. Shift(ppm)
A 13. B 9.398 C 9.024 D 8.232 E 8.159 F 7.952 G 7.752
Hz ppm Int.3756.84 9.401 1000 3754.88 9.396 960 3607.42 9.027 849 3605.71 9.023 800 3294.92 8.245 495 3294.19 8.243 493 3286.62 8.224 544 3285.64 8.222 522 3265.63 8.172 523 3257.08 8.150 636 3186.77 7.974 353 3185.30 7.971 357 3179.69 7.957 457 3178.22 7.953 631 3176.76 7.949 336 3171.39 7.936 359 3169.92 7.932 331 3105.96 7.772 377 3104.74 7.769 371 3098.88 7.754 405 3097.90 7.752 614 3096.68 7.749 400 3090.82 7.734 311 3089.84 7.732 289
KBr disc
nujol mull
