4-PENTYLOXYANILINE(39905-50-5) MS
Product Name4-PENTYLOXYANILINE
CAS39905-50-5
Molecular FormulaC11H17NO
Molecular Weight179.26
InChIInChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3
InChIKey QZLNSNIHXKQIIS-UHFFFAOYSA-N
SmilesC1(N)=CC=C(OCCCCC)C=C1
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MassMS-NW-7593 p-pentyloxyaniline C11H17NO (Mass of molecular ion: 179)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.1 27.0 2.6 29.0 2.3 39.0 2.4 41.0 3.5 42.0 1.3 43.0 4.2 52.0 1.7 53.0 3.1 54.0 1.1 55.0 1.7 65.0 3.0 80.0 8.2 81.0 2.1 92.0 2.1 94.0 1.1 108.0 14.4 109.0 100.0 110.0 7.3 122.0 1.1 179.0 22.2 180.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H17 N O 0.05 ml : 0.5 ml CDCl3 p-pentyloxyaniline 
Assign. Shift(ppm)
A 6.70 B 6.58 C 3.839 D 3.33 E 1.73 F 1.43 G 1.31 J 0.91
Hz ppm Int.609.31 6.804 44 607.13 6.780 214 606.50 6.772 176 604.31 6.748 136 600.75 6.708 206 598.06 6.678 979 595.69 6.652 260 594.25 6.636 270 591.88 6.609 1000 589.13 6.579 218 585.63 6.539 159 583.44 6.515 200 582.81 6.508 228 580.44 6.482 52 350.75 3.917 275 348.31 3.890 69 344.44 3.846 665 338.00 3.775 390 298.50 3.333 352 81.38 0.909 617
in CDCl3
liquid film
