4-N-OCTYLANILINE(16245-79-7) Raman
Product Name4-N-OCTYLANILINE
CAS16245-79-7
Molecular FormulaC14H23N
Molecular Weight205.34
InChIInChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey ORKQJTBYQZITLA-UHFFFAOYSA-N
SmilesC1(N)=CC=C(CCCCCCCC)C=C1
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MassMS-NW-7330 p-octylaniline C14H23N (Mass of molecular ion: 205)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
29.0 1.1 41.0 1.6 77.0 2.7 78.0 1.3 79.0 1.4 92.0 1.0 93.0 1.0 106.0 100.0 107.0 8.3 119.0 1.6 120.0 1.2 205.0 14.0 206.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H23 N 0.05 ml : 0.5 ml CDCl3 p-octylaniline 
Assign. Shift(ppm)
A 6.944 B 6.579 C 3.43 D 2.480 E 1.542 F 1.34 to 1.23 G 0.876
Hz ppm Int.2782.23 6.962 73 2779.54 6.955 497 2777.59 6.951 224 2773.19 6.940 193 2771.12 6.934 599 2768.68 6.928 107 2634.89 6.593 106 2632.32 6.587 696 2630.25 6.582 268 2625.98 6.571 222 2623.90 6.566 659 2621.34 6.560 93 1371.34 3.432 709 996.70 2.494 298 989.14 2.476 367 981.20 2.456 321 630.25 1.578 46 622.92 1.559 133 615.60 1.541 182 607.91 1.522 140 600.71 1.504 51 523.07 1.309 236 515.14 1.289 604 510.86 1.279 683 509.89 1.276 689 501.59 1.256 687 355.83 0.891 331 349.12 0.874 1000 342.04 0.856 413
in CDCl3
liquid film
