4-N-BUTOXYBENZYLIDENE-4'-PENTYLANILINE(39777-05-4) IR1
Product Name4-N-BUTOXYBENZYLIDENE-4'-PENTYLANILINE
CAS39777-05-4
Molecular FormulaC22H29NO
Molecular Weight323.47
InChIInChI=1S/C22H29NO/c1-3-5-7-8-19-9-13-21(14-10-19)23-18-20-11-15-22(16-12-20)24-17-6-4-2/h9-16,18H,3-8,17H2,1-2H3
InChIKey HRVNADYIJXVWHM-UHFFFAOYSA-N
SmilesC1(N=CC2=CC=C(OCCCC)C=C2)=CC=C(CCCCC)C=C1
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MassMS-IW-7438 N-(4-butoxybenzylidene)-4-pentylaniline C22H29NO (Mass of molecular ion: 323)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
29.0 1.6 41.0 1.5 43.0 1.8 65.0 1.0 77.0 1.0 89.0 1.0 90.0 2.7 91.0 1.8 180.0 1.6 181.0 1.0 196.0 1.0 209.0 1.5 210.0 32.8 211.0 5.3 266.0 65.4 267.0 16.8 268.0 2.1 323.0 100.0 324.0 24.6 325.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C22 H29 N O 0.041 g : 0.5 ml CDCl3 N-(4-butoxybenzylidene)-4-pentylaniline 
Assign. Shift(ppm)
A 8.383 B 7.815 C 7.177 D 7.129 E 6.954 F 4.008 G 2.605 J 1.783 K 1.619 L 1.502 M 1.33 N 0.983 P 0.895
Hz ppm Int.3350.46 8.384 481 3130.74 7.834 42 3128.05 7.827 372 3126.22 7.823 125 3121.22 7.810 119 3119.38 7.806 408 3116.70 7.799 52 2876.34 7.198 30 2874.27 7.192 210 2872.31 7.188 89 2868.04 7.177 118 2865.72 7.171 465 2854.00 7.142 100 2852.05 7.137 562 2849.85 7.131 143 2845.58 7.121 99 2843.51 7.116 261 2841.55 7.111 39 2786.38 6.973 46 2783.69 6.966 399 2781.86 6.961 128 2776.86 6.949 116 2774.90 6.944 392 2772.22 6.937 49 1608.64 4.026 246 1602.17 4.009 525 1595.58 3.993 261 1049.07 2.625 164 1041.38 2.606 212 1033.57 2.587 181 727.54 1.821 53 721.07 1.805 137 717.90 1.797 52 714.60 1.789 139 713.62 1.786 168 712.04 1.782 116 711.43 1.781 115 708.13 1.772 63 705.81 1.767 158 699.34 1.750 70 663.94 1.662 32 656.37 1.643 87 648.93 1.624 118 645.87 1.617 70 643.07 1.610 67 641.36 1.605 95 633.79 1.586 38 619.14 1.550 36 611.69 1.531 120 605.96 1.517 71 604.00 1.512 181 598.51 1.498 76 596.44 1.493 189 591.19 1.480 36 589.11 1.475 121 581.79 1.456 36 547.36 1.370 32 540.65 1.353 80 538.21 1.347 170 534.42 1.338 259 531.13 1.329 299 527.22 1.320 183 523.80 1.311 77 522.34 1.307 78 519.04 1.299 43 400.15 1.002 483 392.70 0.983 1000 385.38 0.965 423 364.87 0.913 213 357.91 0.896 696 354.00 0.886 80 350.83 0.878 215
in CDCl3
KBr disc
nujol mull
