7,8-BENZOQUINOLINE(230-27-3) 1H NMR
Product Name7,8-BENZOQUINOLINE
CAS230-27-3
Molecular FormulaC13H9N
Molecular Weight179.22
InChIInChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
InChIKey WZJYKHNJTSNBHV-UHFFFAOYSA-N
SmilesN1C2C(=CC=C3C=CC=CC3=2)C=CC=1
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MassMS-NW-1980 benzo(h)quinoline C13H9N (Mass of molecular ion: 179)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
50.0 1.3 51.0 1.4 62.0 1.0 63.0 2.8 74.0 1.4 75.0 2.8 75.5 1.4 76.0 3.9 76.5 1.0 89.0 4.1 89.5 5.4 125.0 1.0 126.0 2.1 150.0 3.0 151.0 6.0 152.0 5.5 153.0 3.9 177.0 3.1 178.0 17.5 179.0 100.0 180.0 14.5 181.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H9 N 14.8 mg : 0.5 ml CDCl3 benzo(h)quinoline 
Assign. Shift(ppm)
A 9.299 B 9.003 C 8.164 D 7.907 E *1 7.806 F *2 7.744 G *2 7.70 J *1 7.675 K 7.515 J(B,K)=4.4HZ. J(B,C)=1.8HZ. J(C,K)=8.0HZ. J(E,J)=8.8HZ.
Hz ppm Int.3721.56 9.313 308 3720.70 9.310 319 3720.09 9.309 296 3714.36 9.295 187 3713.50 9.292 323 3712.65 9.290 345 3711.91 9.288 320 3601.44 9.012 413 3599.73 9.008 427 3597.05 9.001 435 3595.34 8.997 435 3267.70 8.177 451 3265.87 8.172 454 3259.64 8.157 480 3257.93 8.152 483 3164.79 7.919 330 3164.18 7.918 309 3163.70 7.917 304 3157.23 7.900 441 3155.76 7.897 410 3125.00 7.820 495 3116.21 7.798 686 3104.13 7.768 185 3102.66 7.764 213 3097.17 7.750 400 3095.83 7.747 402 3094.60 7.744 229 3089.23 7.730 431 3087.65 7.726 375 3084.72 7.719 465 3083.01 7.715 524 3077.64 7.701 312 3076.90 7.699 420 3075.44 7.696 439 3070.92 7.685 1000 3068.36 7.678 248 3062.01 7.662 711 3009.52 7.531 613 3005.13 7.520 613 3001.46 7.511 590 2997.07 7.500 589
in CDCl3
KBr disc
nujol mull
