产品名称:N,N-二甲基-P-铌三阿呋喃
CAS:100-23-2
分子式:C8H10N2O2
分子量: 166.18
InChI:InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChIKey: QJAIOCKFIORVFU-UHFFFAOYSA-N
Smiles:C1(N(C)C)=CC=C([N+]([O-])=O)C=C1
MS
1HNMR
13CNMR
IR1
IR2
Mass
MS-NW-0200 N,N-dimethyl-p-nitroaniline C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 3.0 27.0 1.3 28.0 1.2 30.0 1.8 38.0 1.7 39.0 4.2 41.0 1.4 42.0 22.5 43.0 1.5 44.0 2.1 50.0 7.2 51.0 6.5 52.0 2.7 53.0 1.1 62.0 1.5 63.0 6.5 64.0 2.4 65.0 5.3 66.0 2.8 67.0 2.0 68.0 1.8 69.0 1.6 74.0 2.7 75.0 2.8 76.0 5.7 77.0 18.0 78.0 8.4 79.0 9.5 80.0 1.8 90.0 3.5 91.0 8.6 92.0 5.6 93.0 3.6 94.0 1.0 103.0 2.2 104.0 10.4 105.0 17.3 106.0 2.2 108.0 5.0 117.0 1.5 118.0 8.5 119.0 29.0 120.0 17.3 121.0 1.7 136.0 25.7 137.0 2.5 150.0 2.7 163.0 1.1 165.0 22.9 166.0 100.0 167.0 10.0
90 MHz in CDCl3
parameter in acetone
Assign. Shift(ppm) A 8.094 B 6.589 C 3.103 J(A,B)=9.5HZ
Hz ppm Int.
730.00 8.151 117 727.75 8.126 32 722.69 8.070 34 720.44 8.045 133 594.69 6.641 98 592.50 6.616 27 587.38 6.559 22 585.19 6.535 84 278.00 3.105 1000
Parameter ppm Hz D(A) 8.05 D(B) 6.79 J(A,A') 3.0 J(A,B) 9.0 J(A,B') 0.2 J(A',B) 0.2 J(A',B') 9.0 J(B,B') 2.6 D(C) 3.18 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
2423.08 8.077 11 2419.66 8.066 112 2417.52 8.058 36 2412.65 8.042 37 2410.51 8.035 119 2407.10 8.024 12 2044.98 6.817 12 2041.56 6.805 118 2039.42 6.798 37 2034.55 6.782 36 2032.41 6.775 114 2029.00 6.763 11 953.98 3.180 1000
in CDCl3
KBr disc
nujol mull
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