3-Dimethylaminophenol(99-07-0) 13C NMR
Product Name3-Dimethylaminophenol
CAS99-07-0
Molecular FormulaC8H11NO
Molecular Weight137.18
InChIInChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKey MESJRHHDBDCQTH-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(N(C)C)=C1
-
MassMS-NW-1243 m-(dimethylamino)phenol C8H11NO (Mass of molecular ion: 137)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.1 18.0 1.2 27.0 2.1 28.0 1.6 30.0 1.2 38.0 2.0 39.0 8.4 40.0 1.1 41.0 1.6 42.0 7.9 43.0 1.4 44.0 6.4 50.0 1.2 51.0 2.2 52.0 1.9 53.0 1.6 55.0 1.2 60.0 1.0 62.0 1.1 63.0 3.1 64.0 1.8 65.0 9.3 66.0 3.5 67.0 2.0 68.0 2.7 68.5 3.3 77.0 2.3 78.0 1.0 79.0 1.1 81.0 1.2 91.0 2.4 92.0 1.9 93.0 5.5 94.0 7.9 95.0 2.2 107.0 2.3 108.0 6.3 120.0 5.3 121.0 10.3 122.0 6.3 123.0 2.5 134.0 1.7 136.0 98.4 137.0 100.0 138.0 8.8
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H11 N O 0.046 g : 0.5 ml CDCl3 m-(dimethylamino)phenol 
Assign. Shift(ppm)
A 7.05 B *1 6.35 C *1 6.32 D 6.20 E 6.18 F 2.814
Hz ppm Int.640.13 7.148 29 631.75 7.054 60 623.44 6.962 40 572.94 6.398 31 572.00 6.387 42 570.69 6.373 61 569.81 6.363 74 564.75 6.306 25 562.69 6.283 50 561.63 6.271 53 560.38 6.258 60 559.44 6.247 47 557.25 6.223 53 555.06 6.198 84 554.06 6.187 67 553.00 6.175 90 252.06 2.815 1000 248.56 2.776 29 247.88 2.768 29
in CDCl3
KBr disc
nujol mull
