2-甲基菲(2531-84-2)紅外圖譜(IR1)
InChI:InChI=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
Smiles:C1=C2C(C3C(C=C2)=CC=CC=3)=CC=C1C
-
Mass
MS-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
-
| 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
-
| 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