2,5-Dimethoxyaniline(102-56-7) MS
Product Name2,5-Dimethoxyaniline
CAS102-56-7
Molecular FormulaC8H11NO2
Molecular Weight153.18
InChIInChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKey NAZDVUBIEPVUKE-UHFFFAOYSA-N
SmilesC1(N)=CC(OC)=CC=C1OC
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MassMS-NW-4879 2,5-dimethoxyaniline C8H11NO2 (Mass of molecular ion: 153)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.2 26.0 1.0 28.0 2.4 38.0 1.1 39.0 3.0 40.0 1.7 41.0 5.1 50.0 1.3 51.0 3.1 52.0 5.5 53.0 2.6 54.0 2.2 63.0 1.1 65.0 2.4 66.0 1.3 67.0 6.6 68.0 2.8 69.0 1.3 77.0 1.0 78.0 2.2 79.0 3.0 80.0 1.8 82.0 1.4 92.0 1.3 93.0 1.1 95.0 17.3 96.0 1.4 107.0 1.6 110.0 26.8 111.0 4.0 122.0 2.2 138.0 100.0 139.0 8.1 153.0 53.4 154.0 5.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H11 N O2 0.040 g : 0.5 ml CDCl3 2,5-dimethoxyaniline 
Assign. Shift(ppm)
A 6.680 B 6.29 C 6.26 D *1 3.787 E *1 3.715 CONFIRMED BY LAOCN CALCULATION
Hz ppm Int.
603.44 6.738 75 594.94 6.643 111 567.19 6.334 88 564.88 6.308 179 564.31 6.301 153 563.00 6.287 155 560.19 6.255 50 554.63 6.193 79 551.75 6.161 50 346.19 3.866 24 345.38 3.857 31 344.88 3.851 32 339.25 3.788 909 336.38 3.756 129 332.75 3.716 1000 328.44 3.668 53 328.13 3.664 52 327.44 3.657 46 326.81 3.650 39 323.44 3.612 25
in CDCl3
CCl4 solution
KBr disc
nujol mull
