Product NameN,N-Diethyl-p-phenylenediamine oxalate
CAS62637-92-7
Molecular FormulaC12H18N2O4
Molecular Weight254.29
InChIInChI=1S/C10H16N2.C2H2O4/c1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)
InChIKey GXSUUFAGHVDMCO-UHFFFAOYSA-N
SmilesC1(N(CC)CC)=CC=C(N)C=C1.C(O)(=O)C(O)=O
Mass
MS-IW-3900 N,N-diethyl-p-phenylenediamine oxalate C10H16N2 1/2C2H2O4 (Mass of molecular ion: 164)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.2 18.0 5.0 27.0 1.1 28.0 1.8 29.0 1.4 39.0 1.9 44.0 1.1 45.0 3.3 46.0 2.0 52.0 1.8 53.0 1.3 63.0 1.0 65.0 7.4 66.0 1.7 77.0 1.4 79.0 1.3 80.0 1.7 91.0 1.6 92.0 7.4 93.0 9.5 94.0 3.0 105.0 1.0 106.0 2.9 107.0 3.9 118.0 1.6 119.0 15.0 120.0 28.2 121.0 12.6 122.0 1.0 132.0 1.1 133.0 2.4 134.0 5.2 135.0 3.6 136.0 1.1 147.0 1.2 148.0 1.4 149.0 100.0 150.0 10.6 163.0 7.4 164.0 54.3 165.0 6.3 175.0 1.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C10 H16 N2 | 0.030 g : 0.5 ml DMSO-d6 |
N,N-diethyl-p-phenylenediamine oxalate |
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Assign. Shift(ppm) |
Hz ppm Int.
2781.01 6.959 94 2780.52 6.958 94 2779.91 6.956 95 2778.93 6.954 95 2778.20 6.952 95 2777.95 6.951 95 2777.22 6.950 95 2776.73 6.948 95 2776.00 6.947 96 2775.27 6.945 96 2774.66 6.943 95 2774.05 6.942 96 2773.68 6.941 96 2773.07 6.939 96 2772.58 6.938 96 2772.22 6.937 95 2771.97 6.936 95 2771.48 6.935 95 2770.87 6.934 96 2770.39 6.933 95 2770.02 6.932 95 2769.53 6.930 95 2769.17 6.929 95 2768.55 6.928 95 2768.07 6.927 95 2767.46 6.925 94 2767.21 6.925 94 2766.85 6.924 94 2766.24 6.922 94 2765.75 6.921 94 2765.50 6.920 94 2764.89 6.919 93 2764.40 6.918 93 2763.55 6.915 92 2762.70 6.913 92 2761.60 6.911 90 2760.62 6.908 89 2758.67 6.903 87 2758.06 6.902 87 2754.88 6.894 82 2753.05 6.889 80 1317.38 3.297 82 1316.53 3.295 82 1316.16 3.294 82 1315.31 3.292 83 1314.82 3.290 83 1313.60 3.287 84 1313.11 3.286 84 1312.01 3.283 85 1311.28 3.282 86 1310.91 3.281 86 1310.18 3.279 85 1309.69 3.278 85 1309.20 3.276 84 1308.47 3.275 84 1307.98 3.273 83 1307.25 3.271 83 1306.88 3.271 83 1306.52 3.270 83 1305.91 3.268 82 1305.54 3.267 82 1305.05 3.266 82 399.29 1.000 534 392.33 0.982 1000 385.38 0.965 528
in DMSO-d6 (at 80.C)
KBr disc
nujol mull
N,N-Diethyl-p-phenylenediamine oxalate(62637-92-7) IR2 Atlas of Related Products
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