BENZO(C)PHENANTHRENE(195-19-7) 1H NMR
Product NameBENZO(C)PHENANTHRENE
CAS195-19-7
Molecular FormulaC18H12
Molecular Weight228.29
InChIInChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
InChIKey TUAHORSUHVUKBD-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C=C2)=CC=CC=3)=C2C=CC=CC2=C1
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MassMS-NW-1267 benzo(c)phenanthrene C18H12 (Mass of molecular ion: 228)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.6 44.0 1.1 87.0 1.1 88.0 1.1 99.0 1.0 100.0 3.1 101.0 4.1 112.0 4.7 112.5 2.8 113.0 14.2 113.5 4.2 114.0 4.1 200.0 1.7 224.0 4.9 225.0 4.3 226.0 26.9 227.0 28.4 228.0 100.0 229.0 18.8 230.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C18 H12 16.3 mg : 0.5 ml CDCl3 benzo(c)phenanthrene 
Assign. Shift(ppm)
A 9.130 B 8.006 C 7.883 D 7.813 E 7.669 F 7.612 J(C,D)=8.5HZ.
Hz ppm Int.3653.08 9.141 318 3648.56 9.130 44 3648.07 9.129 42 3644.65 9.120 333 3205.20 8.021 318 3203.61 8.017 349 3199.95 8.007 57 3199.58 8.006 53 3197.27 8.001 377 3195.80 7.997 404 3155.88 7.897 388 3151.86 7.887 42 3151.49 7.886 42 3151.00 7.885 42 3147.46 7.876 696 3125.85 7.822 1000 3121.95 7.812 68 3120.73 7.809 52 3117.31 7.801 603 3113.16 7.790 42 3074.83 7.694 151 3073.24 7.690 178 3067.99 7.677 268 3066.41 7.673 405 3064.82 7.669 219 3061.52 7.661 49 3059.45 7.656 286 3057.86 7.652 293 3054.32 7.643 42 3049.68 7.631 315 3048.46 7.628 382 3045.78 7.622 62 3044.92 7.619 54 3042.85 7.614 223 3041.75 7.612 436 3040.65 7.609 388 3034.91 7.594 198 3033.81 7.592 205
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1H NMR 89.56 MHz C18 H12 0.025 g : 0.5 ml CDCl3 benzo(c)phenanthrene Assign. Shift(ppm)
A 9.127 B 8.005 C 7.883 D 7.808 E 7.67 F 7.61 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(A,E)=8.42HZ. J(B,F)=7.9HZ. J(B,E)=1.5HZ. J(C,D)=8.5HZ. J(A,F)=1.1HZ.
Hz ppm Int.821.00 9.168 124 818.94 9.145 92 818.38 9.138 91 816.31 9.115 53 815.56 9.107 72 814.88 9.099 48 813.06 9.079 96 811.88 9.066 152 720.00 8.040 129 718.13 8.019 104 715.63 7.991 95 714.38 7.977 125 713.25 7.964 144 710.44 7.933 286 707.19 7.897 51 701.38 7.832 622 699.25 7.808 1000 695.00 7.761 47 692.63 7.734 89 690.69 7.713 125 688.00 7.683 264 685.63 7.656 405 681.88 7.614 513 678.19 7.573 288 676.38 7.553 218 671.44 7.498 52
in CDCl3
KBr disc
nujol mull
