2-Adamantanone(700-58-3) 13C NMR
Product Name2-Adamantanone
CAS700-58-3
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKey IYKFYARMMIESOX-UHFFFAOYSA-N
SmilesC12CC3CC(CC(C3)C1=O)C2
-
MassMS-NW-7172 tricyclo(3.3.1.1(3,7))decan-2-one C10H14O (Mass of molecular ion: 150)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.0 27.0 12.6 29.0 3.8 38.0 1.2 39.0 18.2 40.0 3.4 41.0 20.1 42.0 2.2 43.0 2.5 50.0 1.8 51.0 5.3 52.0 2.8 53.0 11.7 54.0 13.6 55.0 6.8 57.0 4.3 63.0 1.4 65.0 4.7 66.0 8.5 67.0 14.5 68.0 6.2 71.0 1.2 72.0 18.7 73.0 1.0 77.0 12.0 78.0 18.8 79.0 73.4 80.0 67.2 81.0 43.8 82.0 3.8 91.0 12.8 92.0 4.0 93.0 15.5 94.0 6.2 95.0 2.4 96.0 1.8 104.0 10.5 105.0 2.0 106.0 2.6 107.0 5.1 108.0 5.1 109.0 3.4 117.0 17.9 118.0 2.1 119.0 1.8 121.0 2.8 122.0 3.9 131.0 2.2 132.0 6.9 150.0 100.0 151.0 11.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H14 O 0.039 g : 0.5 ml CDCl3 tricyclo(3.3.1.1(3,7))decan-2-one 
Assign. Shift(ppm)
A 2.55 B 2.26 to 1.81
Hz ppm Int.227.75 2.543 161 195.69 2.186 51 195.31 2.181 51 194.69 2.174 50 183.00 2.044 1000 174.25 1.946 264 165.00 1.843 52
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
