3-Isopropoxyaniline(41406-00-2) MS
Product Name3-Isopropoxyaniline
CAS41406-00-2
Molecular FormulaC9H13NO
Molecular Weight151.21
InChIInChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
InChIKey QMGBIPKOKCSUCL-UHFFFAOYSA-N
SmilesC1(N)=CC=CC(OC(C)C)=C1
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MassMS-IW-6462 m-isopropoxyaniline C9H13NO (Mass of molecular ion: 151)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.6 28.0 1.4 39.0 4.3 40.0 1.0 41.0 4.7 42.0 1.8 43.0 2.3 52.0 1.7 53.0 3.7 54.0 1.2 63.0 1.1 64.0 1.3 65.0 4.1 66.0 1.1 68.0 1.7 80.0 11.9 81.0 8.7 82.0 2.2 91.0 1.1 92.0 2.6 108.0 2.8 109.0 100.0 110.0 7.6 136.0 1.9 151.0 28.7 152.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H13 N O 0.05 ml : 0.5 ml CDCl3 m-isopropoxyaniline 
Assign. Shift(ppm)
A 7.012 B 6.292 C 6.226 D 6.203 E 4.463 F 3.62 G 1.291
Hz ppm Int.2810.42 7.033 99 2810.06 7.032 94 2802.25 7.012 194 2794.43 6.993 114 2520.39 6.307 73 2519.65 6.305 81 2518.07 6.301 82 2517.33 6.299 84 2512.21 6.287 67 2511.35 6.284 74 2509.89 6.281 78 2509.03 6.279 79 2494.02 6.241 81 2493.16 6.239 86 2491.94 6.236 113 2491.09 6.234 104 2486.33 6.222 62 2485.35 6.219 73 2484.13 6.216 133 2483.28 6.214 120 2481.08 6.209 147 2478.88 6.203 188 2476.68 6.198 87 1796.02 4.494 38 1789.92 4.479 93 1783.81 4.464 123 1777.83 4.449 94 1771.73 4.434 39 1447.27 3.622 69 523.44 1.310 55 519.04 1.299 1000 512.94 1.284 960
in CDCl3
liquid film
