9,10-苯并菲(217-59-4)核磁圖(1HNMR)
InChI:InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
Smiles:C1=C2C(C3C(C4C2=CC=CC=4)=CC=CC=3)=CC=C1
-
Mass
MS-NW-0122
triphenylene
C18H12 (Mass of molecular ion: 228)
Source Temperature: 180 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 1.0
88.0 1.2
100.0 2.7
101.0 3.4
112.0 3.3
112.5 1.9
113.0 8.7
113.5 3.2
114.0 8.6
114.5 1.6
200.0 2.8
201.0 1.5
202.0 2.7
224.0 4.6
225.0 3.8
226.0 22.7
227.0 11.3
228.0 100.0
229.0 19.8
230.0 2.2
400 MHz in CDCl3
parameter in CS2
-
1H NMR |
399.65 MHz |
C18 H12
|
15.8 mg : 0.5 ml CDCl3
|
triphenylene
|
|
Assign. Shift(ppm)
A 8.636
B 7.642
|
Hz ppm Int.
3460.45 8.659 51
3459.35 8.656 67
3456.30 8.649 676
3452.88 8.640 545
3450.07 8.633 560
3446.66 8.625 712
3443.60 8.617 101
3439.94 8.608 24
3061.89 7.662 85
3058.72 7.654 1000
3055.42 7.646 795
3052.37 7.638 765
3049.07 7.630 940
3047.00 7.625 75
3046.02 7.622 103
3042.48 7.613 26
-
1H NMR |
300 MHz |
C18 H12
|
5 % in CS2
|
triphenylene
|
|
Parameter ppm Hz
D(A) 8.43
D(B) 7.50
J(A,A') 0.5
J(A,B) 8.3
J(A,B') 1.3
J(A',B) 1.3
J(A',B') 8.3
J(B,B') 7.0
BARTLE,K.D. ET AL. SPECTROCHIM.ACTA 22, 941 1966
|
Hz ppm Int.
2537.93 8.460 83
2537.08 8.457 98
2533.86 8.446 934
2530.52 8.435 815
2527.62 8.425 801
2524.27 8.414 1000
2521.00 8.403 111
2520.25 8.401 96
2258.75 7.529 96
2258.00 7.527 111
2254.74 7.516 1000
2251.39 7.505 805
2248.49 7.495 818
2245.15 7.484 934
2241.93 7.473 98
2241.08 7.470 83
ANION RADICAL, REDUCTION WITH NA IN MTHF
DIANION RADICAL, REDUCTION WITH K IN MTHF