4-CYANOPHENYL 4-HEPTYLBENZOATE(38690-76-5) 1H NMR
Product Name4-CYANOPHENYL 4-HEPTYLBENZOATE
CAS38690-76-5
Molecular FormulaC21H23NO2
Molecular Weight321.41
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MassMS-IW-4907 p-cyanophenyl p-heptylbenzoate C21H23NO2 (Mass of molecular ion: 321)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
29.0 1.1 41.0 1.8 43.0 2.1 55.0 1.5 65.0 1.0 77.0 1.3 89.0 1.5 90.0 5.0 91.0 11.3 103.0 1.4 104.0 1.3 105.0 1.2 118.0 4.2 131.0 3.2 203.0 100.0 204.0 15.5 205.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H23 N O2 0.039 g : 0.5 ml CDCl3 p-cyanophenyl p-heptylbenzoate 
Assign. Shift(ppm)
A 8.095 B 7.729 C 7.358 D 7.332 E 2.704 F 1.650 G 1.33 J 1.28 K 0.885
Hz ppm Int.3241.46 8.111 103 3239.62 8.107 600 3237.79 8.102 204 3233.03 8.090 212 3231.20 8.086 639 3229.37 8.081 106 3096.07 7.747 101 3093.75 7.742 768 3091.67 7.736 246 3086.91 7.725 267 3084.84 7.719 855 3082.40 7.713 120 2947.63 7.376 120 2945.19 7.370 877 2943.12 7.365 263 2940.67 7.359 46 2938.35 7.353 275 2936.28 7.348 852 2934.45 7.343 570 2933.96 7.342 536 2927.86 7.327 183 2925.90 7.322 502 1088.75 2.725 237 1081.30 2.706 310 1073.36 2.686 256 676.51 1.693 35 669.07 1.675 114 661.50 1.656 159 657.10 1.645 98 655.52 1.641 106 653.93 1.637 127 646.61 1.618 47 540.65 1.353 153 537.11 1.344 280 533.33 1.335 424 529.42 1.325 386 526.61 1.318 294 523.68 1.311 233 517.21 1.295 278 513.31 1.285 310 512.21 1.282 327 507.57 1.271 241 500.12 1.252 69 495.61 1.241 36 361.08 0.904 297 354.25 0.887 1000 347.17 0.869 348
in CDCl3
KBr disc
nujol mull
