4-ETHYNYLANILINE(14235-81-5) 1H NMR
Product Name4-ETHYNYLANILINE
CAS14235-81-5
Molecular FormulaC8H7N
Molecular Weight117.15
InChIInChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChIKey JXYITCJMBRETQX-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C#C)C=C1
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MassMS-IW-9466 p-ethynylaniline C8H7N (Mass of molecular ion: 117)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.0 37.0 1.1 38.0 1.9 39.0 4.7 40.0 1.5 41.0 2.8 45.5 1.3 50.0 2.6 51.0 2.9 52.0 3.4 54.0 1.1 57.5 1.2 58.5 7.3 61.0 2.5 62.0 5.1 63.0 9.9 64.0 3.8 65.0 2.1 66.0 1.1 67.0 1.2 74.0 2.3 75.0 1.7 76.0 1.1 78.0 1.1 87.0 1.1 88.0 1.5 89.0 29.6 90.0 15.9 91.0 2.6 116.0 9.7 117.0 100.0 118.0 9.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 N 0.039 g : 0.5 ml CDCl3 p-ethynylaniline 
Assign. Shift(ppm)
A 7.284 B 6.564 C 3.80 D 2.964
Hz ppm Int.2917.85 7.302 131 2915.41 7.295 648 2913.57 7.291 268 2911.13 7.285 80 2908.81 7.279 268 2906.86 7.274 678 2904.54 7.268 121 2630.00 6.581 141 2627.69 6.575 746 2625.73 6.571 291 2621.09 6.559 275 2619.02 6.554 697 2616.70 6.548 115 1519.78 3.803 181 1184.81 2.965 1000
in CDCl3
KBr disc
nujol mull
