3-(4-AMINOPHENYL)PROPIONIC ACID(2393-17-1) IR1
Product Name3-(4-AMINOPHENYL)PROPIONIC ACID
CAS2393-17-1
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)
InChIKey WXOHKMNWMKZMND-UHFFFAOYSA-N
SmilesC1(CCC(O)=O)=CC=C(N)C=C1
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MassMS-NW-9366 3-(p-aminophenyl)propionic acid C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.4 51.0 1.0 65.0 2.2 77.0 4.3 78.0 1.6 79.0 2.9 91.0 2.8 93.0 1.3 104.0 1.3 106.0 100.0 107.0 8.2 117.0 1.1 118.0 3.5 119.0 3.1 120.0 1.7 122.0 1.0 165.0 31.4 166.0 3.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N O2 0.038 g : 0.5 ml DMSO-d6 3-(p-aminophenyl)propionic acid 
Assign. Shift(ppm)
A 6.861 B 6.482 C 2.642 D 2.421
Hz ppm Int.2757.45 6.900 26 2757.08 6.899 26 2754.52 6.893 31 2746.58 6.873 774 2738.16 6.852 816 2602.17 6.512 29 2597.17 6.499 173 2594.60 6.493 1000 2592.65 6.488 331 2588.13 6.476 336 2586.30 6.472 863 2583.62 6.465 108 1064.21 2.663 313 1056.76 2.645 640 1049.07 2.625 416 974.85 2.440 510 966.92 2.420 775 959.59 2.402 346
in DMSO-d6
KBr disc
nujol mull
