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MS-NW-6566 dinonyl adipate C24H46O4 (Mass of molecular ion: 398)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.0 18.0 4.4 27.0 3.1 28.0 2.0 29.0 10.0 39.0 3.3 41.0 23.8 42.0 6.4 43.0 14.9 44.0 1.0 53.0 1.7 54.0 1.3 55.0 26.1 56.0 10.4 57.0 100.0 58.0 5.1 59.0 1.5 67.0 2.2 68.0 2.3 69.0 22.6 70.0 32.6 71.0 35.2 72.0 2.2 73.0 1.5 81.0 1.1 82.0 1.1 83.0 11.0 84.0 7.4 85.0 2.5 95.0 3.5 97.0 2.2 98.0 2.4 100.0 3.3 101.0 5.7 102.0 1.2 109.0 1.1 110.0 2.7 111.0 11.3 112.0 5.8 113.0 1.6 114.0 1.0 115.0 23.1 116.0 1.8 126.0 8.9 127.0 6.5 128.0 1.4 129.0 55.4 130.0 4.2 147.0 3.1 170.0 2.2 198.0 1.4 199.0 3.1 213.0 2.9 226.0 8.4 227.0 1.9 228.0 1.6 239.0 2.8 241.0 1.4 255.0 30.9 256.0 5.3 273.0 16.7 274.0 3.1 300.0 1.8 342.0 10.5 343.0 3.8 383.0 4.2 384.0 1.3 398.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C24 H46 O4 0.05 ml : 0.5 ml CDCl3 dinonyl adipate Assign. Shift(ppm)
A 4.089 B 2.317 C 1.662 D 1.63 to 1.58 E 1.46 F 1.231 G 1.086 J 0.947 K 0.892 J(F,G)=14.0HZ ASSIGNED BY H-H COSY.
Hz ppm Int.
1640.38 4.105 57 1634.64 4.091 98 1633.67 4.088 107 1627.69 4.073 68 1626.83 4.071 68 932.62 2.334 40 931.40 2.331 38 929.93 2.327 37 928.10 2.323 48 925.54 2.316 93 923.10 2.310 49 921.14 2.305 35 919.56 2.301 37 918.33 2.298 42 671.75 1.681 48 670.53 1.678 38 667.60 1.671 61 664.67 1.664 121 661.38 1.655 67 660.52 1.653 61 658.81 1.649 37 657.47 1.646 46 654.30 1.638 47 647.83 1.621 44 644.17 1.612 43 641.85 1.607 43 638.06 1.597 42 584.47 1.463 36 578.37 1.448 36 501.95 1.256 37 498.41 1.248 35 487.92 1.221 56 484.50 1.213 53 442.50 1.108 55 436.52 1.093 54 428.47 1.073 36 422.49 1.058 35 382.20 0.957 243 375.49 0.940 241 356.45 0.892 1000
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