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104949-82-8More Spectrum > 4-N-HEXYLOXYPHTHALONITRILE(104949-82-8)13CNMR
4-N-HEXYLOXYPHTHALONITRILE
Product Name 4-N-HEXYLOXYPHTHALONITRILE
CAS104949-82-8
MFC14H16N2O
MW228.29
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MassMS-IW-0222 4-(hexyloxy)phthalonitrile C14H16N2O (Mass of molecular ion: 228)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 3.9 27.0 6.1 28.0 1.6 29.0 9.5 39.0 3.7 41.0 19.4 42.0 5.3 43.0 100.0 44.0 3.8 55.0 8.8 56.0 11.8 57.0 20.2 64.0 1.2 69.0 6.9 76.0 1.1 84.0 16.7 85.0 22.2 86.0 1.5 100.0 2.7 115.0 1.3 116.0 1.7 127.0 4.5 128.0 2.1 129.0 1.3 144.0 5.7 145.0 7.8 157.0 1.6 158.0 2.3 228.0 10.3 229.0 3.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H16 N2 O 0.05 ml : 0.5 ml CDCl3 4-(hexyloxy)phthalonitrile 
Assign. Shift(ppm)
A 7.735 B 7.285 C 7.231 D 4.081 E 1.834 F 1.473 G 1.36 J 1.34 K 0.908
Hz ppm Int.3095.95 7.747 528 3087.16 7.725 566 2912.96 7.289 452 2910.40 7.283 565 2895.26 7.245 372 2892.70 7.239 297 2886.47 7.223 328 2883.91 7.217 284 1637.70 4.098 389 1631.10 4.082 818 1624.63 4.066 419 747.44 1.871 85 740.84 1.854 227 737.67 1.846 70 733.64 1.836 253 732.06 1.832 200 725.71 1.816 258 719.24 1.800 108 604.00 1.512 41 602.78 1.509 36 596.92 1.494 140 594.12 1.487 109 592.04 1.482 122 589.72 1.476 171 584.84 1.464 112 583.98 1.462 114 581.79 1.456 142 574.58 1.438 65 553.34 1.385 42 547.61 1.371 163 543.82 1.361 332 540.28 1.352 504 536.50 1.343 545 532.96 1.334 351 529.54 1.326 147 524.78 1.314 38 370.24 0.927 334 366.58 0.918 204 363.28 0.909 1000 360.96 0.904 217 360.35 0.902 221 357.79 0.896 185 356.08 0.891 293
in CDCl3
liquid film
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