3-Aminophenol(591-27-5) 13C NMR
Product Name3-Aminophenol
CAS591-27-5
Molecular FormulaC6H7NO
Molecular Weight109.13
InChIInChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKey CWLKGDAVCFYWJK-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(N)=C1
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MassMS-IW-4311 m-aminophenol C6H7NO (Mass of molecular ion: 109)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.1 27.0 1.7 38.0 1.4 39.0 3.8 40.0 2.0 41.0 2.6 42.0 1.7 51.0 1.7 52.0 2.8 53.0 6.7 54.0 3.0 54.5 4.3 55.0 1.4 63.0 2.4 64.0 3.2 65.0 2.3 66.0 1.5 68.0 3.1 69.0 1.2 80.0 24.5 81.0 14.3 82.0 4.8 91.0 1.9 108.0 4.9 109.0 100.0 110.0 7.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H7 N O 0.042 g : 0.5 ml DMSO-d6 m-aminophenol 
Assign. Shift(ppm)
A 8.83 B 6.780 C 6.018 D 6.01 E 5.942 F 4.85
Hz ppm Int.3529.97 8.833 1000 2717.29 6.800 136 2716.37 6.797 102 2709.35 6.780 253 2707.98 6.776 95 2702.94 6.764 63 2701.11 6.759 162 2406.01 6.021 542 2404.33 6.017 599 2402.65 6.012 215 2398.68 6.002 185 2397.77 6.000 202 2396.55 5.997 135 2395.63 5.995 113 2380.83 5.958 163 2379.30 5.954 229 2377.62 5.950 138 2372.89 5.938 168 2371.98 5.936 162 2370.61 5.932 154 2369.69 5.930 136 1939.24 4.853 393
in DMSO-d6
KBr disc
