4-N-HEPTYLBENZOIC ACID(38350-87-7) MS
Product Name4-N-HEPTYLBENZOIC ACID
CAS38350-87-7
Molecular FormulaC14H20O2
Molecular Weight220.31
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MassMS-IW-0826 p-heptylbenzoic acid C14H20O2 (Mass of molecular ion: 220)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.7 27.0 1.4 29.0 2.5 39.0 1.4 41.0 5.3 43.0 20.8 55.0 2.6 56.0 1.3 57.0 3.1 65.0 1.3 77.0 3.5 79.0 2.2 85.0 1.2 89.0 1.5 90.0 2.6 91.0 30.1 92.0 39.4 93.0 3.3 103.0 1.6 105.0 6.6 107.0 5.4 117.0 1.2 118.0 3.6 119.0 3.8 122.0 1.2 123.0 2.3 131.0 2.6 133.0 1.9 135.0 27.9 136.0 100.0 137.0 9.3 138.0 1.2 148.0 2.7 149.0 4.1 150.0 1.0 151.0 3.8 163.0 2.7 164.0 1.1 175.0 5.6 176.0 1.2 177.0 7.4 178.0 2.8 191.0 1.3 203.0 1.3 220.0 48.9 221.0 8.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H20 O2 0.036 g : 0.5 ml CDCl3 p-heptylbenzoic acid 
Assign. Shift(ppm)
A 12. B 8.031 C 7.274 D 2.670 E 1.630 F 1.31 G 1.27 J 0.878
Hz ppm Int.3214.02 8.043 546 3212.37 8.038 202 3207.43 8.026 197 3205.60 8.022 598 2911.43 7.285 509 2903.01 7.264 499 1074.82 2.690 233 1067.31 2.671 311 1059.44 2.651 258 667.82 1.672 35 666.36 1.668 31 660.32 1.653 114 652.81 1.634 164 648.78 1.624 104 646.94 1.619 111 645.30 1.615 128 638.15 1.597 47 535.03 1.339 159 531.37 1.330 277 527.52 1.320 470 525.32 1.315 376 523.67 1.311 384 520.93 1.304 405 515.80 1.291 227 513.05 1.284 292 509.75 1.276 347 508.10 1.272 373 503.52 1.260 275 495.83 1.241 79 357.91 0.896 305 350.95 0.879 1000 343.99 0.861 379 339.04 0.849 31
in CDCl3
KBr disc
nujol mull
