2-氟吡啶(372-48-5)Raman光谱
InChI:InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N
Smiles:C1(F)=NC=CC=C1
-
Mass
MS-NW-5593
2-fluoropyridine
C5H4FN (Mass of molecular ion: 97)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 3.3
27.0 1.0
28.0 1.6
31.0 3.3
37.0 2.4
38.0 2.6
39.0 7.9
44.0 2.7
46.0 2.6
48.0 1.1
48.5 1.0
49.0 2.3
50.0 8.4
51.0 10.0
52.0 5.5
57.0 10.5
68.0 2.6
69.0 6.6
70.0 51.5
71.0 6.2
75.0 1.3
76.0 4.6
77.0 4.0
78.0 2.2
96.0 7.4
97.0 100.0
98.0 5.8
90 MHz in CDCl3
parameter in CCl4
parameter neat
-
| 1H NMR |
89.56 MHz |
| C5 H4 F N
|
0.04 ml : 0.5 ml CDCl3
|
| 2-fluoropyridine
|
 |
Assign. Shift(ppm)
A 8.230
B 7.784
C 7.182
D 6.934
|
Hz ppm Int.
740.75 8.271 462
739.69 8.260 499
738.75 8.249 531
735.88 8.217 538
734.94 8.207 559
733.88 8.195 577
710.88 7.938 438
708.75 7.914 380
703.63 7.857 595
702.75 7.847 782
701.56 7.834 571
700.69 7.824 725
699.69 7.813 90
695.50 7.766 997
694.63 7.757 585
693.38 7.743 910
692.50 7.733 560
687.38 7.676 683
685.25 7.652 621
650.50 7.264 582
649.56 7.253 615
648.13 7.237 599
647.19 7.227 646
645.63 7.209 552
644.69 7.199 584
643.25 7.183 926
642.31 7.172 944
640.88 7.156 524
639.94 7.146 497
638.38 7.128 474
637.44 7.118 469
635.94 7.101 471
635.00 7.091 445
626.88 7.000 691
626.13 6.992 985
625.19 6.981 636
624.25 6.971 741
623.44 6.962 1000
622.56 6.952 624
618.69 6.909 556
617.88 6.900 784
617.00 6.890 535
616.00 6.879 606
615.25 6.870 820
614.31 6.860 523
-
| 1H NMR |
300 MHz |
| C5 H4 F N
|
10 vol% in CCl4
|
| 2-fluoropyridine
|
|
Parameter ppm Hz
D(A) 8.19
D(B) 7.15
D(C) 7.77
D(D) 6.88
J(A,B) 4.95
J(A,C) 2.10
J(A,D) 0.78
J(A,X) 0.0
J(B,C) 7.23
J(B,D) 0.91
J(B,X) 2.49
J(C,D) 8.23
J(C,X) 8.18
J(D,X) -2.85
SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)
|
Hz ppm Int.
2460.90 8.203 926
2460.18 8.201 970
2458.82 8.196 997
2458.09 8.194 972
2455.96 8.187 972
2455.23 8.184 992
2453.86 8.180 1000
2453.15 8.177 972
2343.99 7.813 371
2341.91 7.806 363
2336.74 7.789 505
2335.76 7.786 853
2334.66 7.782 556
2333.68 7.779 811
2328.52 7.762 859
2327.62 7.759 567
2326.43 7.755 875
2325.57 7.752 516
2320.34 7.734 429
2318.27 7.728 413
2152.70 7.176 470
2151.80 7.173 499
2150.30 7.168 481
2149.33 7.164 496
2147.74 7.159 503
2146.85 7.156 534
2145.39 7.151 887
2144.50 7.148 878
2143.08 7.144 510
2142.08 7.140 480
2140.51 7.135 461
2139.64 7.132 462
2138.13 7.127 456
2137.15 7.124 424
2070.27 6.901 552
2069.44 6.898 870
2068.61 6.895 610
2067.42 6.891 622
2066.63 6.889 916
2065.85 6.886 567
2062.11 6.874 533
2061.28 6.871 802
2060.45 6.868 568
2059.21 6.864 576
2058.41 6.861 855
2057.63 6.859 525
-
| 1H NMR |
300 MHz |
| C5 H4 F N
|
neat
|
| 2-fluoropyridine
|
|
Parameter ppm Hz
D(A) 8.266
D(B) 7.217
D(C) 7.840
D(D) 6.998
D(X) -60.7
J(A,B) 4.88
J(A,C) 2.14
J(A,D) 0.81
J(A,X) 0.0
J(B,C) 7.16
J(B,D) 0.83
J(B,X) 2.49
J(C,D) 8.18
J(C,X) 8.19
J(D,X) -2.63
THOMAS,W.A. & GRIFFIN,G.E. ORG.MAGN.RESON. 2, 503 (1970)
J(A,X):NOT EQUAL 0.
|
Hz ppm Int.
2483.71 8.279 921
2482.94 8.276 967
2481.57 8.272 996
2480.82 8.269 975
2478.83 8.263 976
2478.07 8.260 994
2476.69 8.256 1000
2475.95 8.253 971
2364.95 7.883 374
2362.83 7.876 366
2357.77 7.859 500
2356.74 7.856 849
2355.65 7.852 554
2354.62 7.849 807
2349.59 7.832 854
2348.61 7.829 565
2347.45 7.825 873
2346.53 7.822 509
2341.42 7.805 433
2339.30 7.798 417
2172.67 7.242 486
2171.89 7.240 513
2170.28 7.234 492
2169.41 7.231 508
2167.80 7.226 518
2167.01 7.223 546
2165.45 7.218 907
2164.64 7.215 898
2163.13 7.210 517
2162.22 7.207 494
2160.65 7.202 474
2159.85 7.199 474
2158.25 7.194 466
2157.36 7.191 438
2105.49 7.018 567
2104.70 7.016 936
2103.90 7.013 644
2102.90 7.010 656
2102.12 7.007 960
2101.36 7.005 579
2097.39 6.991 544
2096.59 6.989 869
2095.77 6.986 593
2094.73 6.982 604
2093.94 6.980 894
2093.18 6.977 539