6-AMINO-2,4-XYLENOL(41458-65-5) 13C NMR
Product Name6-AMINO-2,4-XYLENOL
CAS41458-65-5
Molecular FormulaC8H11NO
Molecular Weight137.18
InChIInChI=1S/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3
InChIKey GISWNAMJAQRJPC-UHFFFAOYSA-N
SmilesC1(O)=C(C)C=C(C)C=C1N
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MassMS-IW-0731 2-amino-4,6-dimethylphenol C8H11NO (Mass of molecular ion: 137)
Source Temperature: 110 °C Sample Temperature: 90 °C Direct, 75 eV
28.0 1.0 39.0 2.0 41.0 1.5 51.0 1.0 53.0 1.2 53.5 1.0 65.0 2.7 66.0 1.0 68.5 2.1 77.0 2.2 79.0 1.6 91.0 7.0 92.0 5.0 93.0 4.0 94.0 3.9 106.0 1.7 107.0 1.3 108.0 5.1 118.0 1.8 119.0 1.7 120.0 13.2 121.0 2.1 122.0 21.2 123.0 1.8 135.0 1.2 136.0 24.3 137.0 100.0 138.0 9.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H11 N O 0.038 g : 0.5 ml DMSO-d6 2-amino-4,6-dimethylphenol 
Assign. Shift(ppm)
A 7.5 B 6.275 C 6.112 D 4.5 E *1 2.058 F *1 2.054
Hz ppm Int.2508.91 6.278 152 2506.84 6.273 157 2447.88 6.126 156 2447.14 6.124 147 2446.41 6.122 144 2445.68 6.120 141 822.51 2.059 1000 821.04 2.055 927
in DMSO-d6
KBr disc
nujol mull
