3-Amino-2-methylphenol(53222-92-7) 13C NMR
Product Name3-Amino-2-methylphenol
CAS53222-92-7
Molecular FormulaC7H9NO
Molecular Weight123.15
InChIInChI=1S/C7H9NO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,8H2,1H3
InChIKey FLROJJGKUKLCAE-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(N)=C1C
-
MassMS-NW-7276 3-amino-o-cresol C7H9NO (Mass of molecular ion: 123)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.3 28.0 3.3 30.0 1.2 37.0 1.1 38.0 2.3 39.0 7.0 40.0 1.6 41.0 4.4 42.0 2.5 43.0 1.0 46.5 2.0 47.0 1.0 50.0 2.1 51.0 5.3 52.0 5.9 52.5 1.4 53.0 2.8 54.0 3.2 55.0 2.0 61.0 2.3 61.5 4.9 62.0 1.3 63.0 1.9 65.0 4.4 66.0 4.3 67.0 4.1 68.0 1.5 76.0 1.2 77.0 12.9 78.0 12.3 79.0 3.6 80.0 6.2 81.0 1.6 82.0 1.0 92.0 1.2 93.0 6.1 94.0 24.5 95.0 5.9 96.0 1.0 104.0 7.8 105.0 6.9 106.0 16.7 107.0 3.5 122.0 53.0 123.0 100.0 124.0 8.4
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H9 N O 0.030 g : 0.5 ml DMSO-d6 3-amino-o-cresol 
Assign. Shift(ppm)
A 8.77 B 6.643 C 6.104 D 6.067 E 4.65 F 1.871
Hz ppm Int.3506.35 8.774 180 2663.33 6.665 87 2655.40 6.645 183 2647.46 6.625 101 2442.99 6.113 145 2435.67 6.095 132 2435.06 6.093 132 2428.59 6.077 144 2420.65 6.057 135 1857.91 4.649 64 747.80 1.872 1000
in DMSO-d6
KBr disc
nujol mull
