2-METHYLPHENANTHRENE(2531-84-2) MS
Product Name2-METHYLPHENANTHRENE
CAS2531-84-2
Molecular FormulaC15H12
Molecular Weight192.26
InChIInChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
InChIKey KANLOADZXMMCQA-UHFFFAOYSA-N
SmilesC1=C2C(C3C(C=C2)=CC=CC=3)=CC=C1C
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MassMS-NW-0109 2-methylphenanthrene C15H12 (Mass of molecular ion: 192)
Source Temperature: 130 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.3 51.0 1.1 62.0 1.0 63.0 2.3 69.0 1.0 69.5 1.2 74.0 1.5 75.0 1.5 81.5 1.6 82.0 1.3 82.5 3.5 83.0 1.0 86.0 1.0 87.0 1.5 93.5 1.1 94.0 1.3 94.5 4.3 95.0 2.5 95.5 1.1 96.0 3.7 115.0 1.1 139.0 2.0 150.0 1.7 151.0 1.4 152.0 1.9 163.0 3.7 164.0 2.1 165.0 10.9 166.0 1.7 176.0 2.7 187.0 2.6 188.0 2.1 189.0 19.5 190.0 10.1 191.0 36.5 192.0 100.0 193.0 16.4 194.0 1.3
400 MHz in CDCl3
parameter in CCl4
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1H NMR 399.65 MHz C15 H12 0.9 mg : 0.5 ml CDCl3 2-methylphenanthrene 
Assign. Shift(ppm)
A 8.656 B 8.583 C 7.875 D *1 7.713 E 7.68 F *1 7.682 G 7.638 J 7.571 K 7.491 L 2.568
Hz ppm Int.3464.60 8.670 90 3463.99 8.668 116 3463.38 8.667 114 3456.30 8.649 92 3455.81 8.648 126 3455.08 8.646 123 3454.59 8.645 88 3434.57 8.594 145 3426.15 8.573 152 3151.86 7.887 113 3150.39 7.883 101 3144.04 7.867 131 3142.58 7.864 119 3089.23 7.730 93 3082.40 7.713 31 3080.44 7.708 282 3072.14 7.688 306 3070.19 7.683 162 3069.21 7.680 176 3068.73 7.679 165 3063.23 7.665 96 3061.40 7.661 79 3059.94 7.657 85 3054.44 7.643 128 3052.98 7.640 162 3051.64 7.636 78 3046.14 7.623 129 3044.68 7.619 114 3032.71 7.589 146 3031.37 7.586 153 3025.63 7.571 100 3024.78 7.569 151 3023.56 7.566 132 3017.82 7.552 84 3016.60 7.549 74 2999.02 7.505 104 2998.66 7.504 99 2997.92 7.502 68 2997.19 7.500 93 2996.83 7.499 93 2990.72 7.484 99 2990.23 7.483 100 2989.50 7.481 65 2988.77 7.479 94 1026.49 2.569 1000
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1H NMR 300 MHz C15 H12 in CCl4 2-methylphenanthrene Parameter ppm Hz
D(A) 7.57 D(B) 7.36 D(C) 8.47 J(A,B) 1.8 J(A,C) 0.4 J(B,C) 8.7 D(D) 8.55 D(E) 7.525 D(F) 7.46 D(G) 7.755 J(D,E) 8.7 J(D,F) 1.15 J(D,G) 0.5 J(E,F) 6.9 J(E,G) 2.0 J(F,G) 7.7 D(J) 7.57 D(K) 7.57 D(L) 2.545 BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967) H(J) & H(K):BROADENED SINGLET.
Hz ppm Int.2569.87 8.566 64 2568.70 8.562 71 2561.77 8.539 60 2561.26 8.538 65 2560.37 8.535 69 2545.44 8.485 129 2536.72 8.456 136 2331.37 7.771 55 2329.64 7.765 54 2329.13 7.764 53 2324.05 7.747 76 2322.03 7.740 69 2270.99 7.570 723 2266.85 7.556 39 2264.73 7.549 37 2259.92 7.533 64 2257.79 7.526 61 2256.17 7.521 32 2251.53 7.505 65 2249.30 7.498 56 2245.10 7.484 66 2243.71 7.479 71 2237.61 7.459 65 2236.33 7.454 66 2230.68 7.436 31 2229.39 7.431 28 2213.18 7.377 92 2211.45 7.371 87 2204.46 7.348 87 2202.73 7.342 83 763.48 2.545 1000
in CDCl3
KBr disc
4880 A,200 M,powder
