1-Chloroadamantane(935-56-8) IR3
Product Name1-Chloroadamantane
CAS935-56-8
Molecular FormulaC10H15Cl
Molecular Weight170.68
InChIInChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey OZNXTQSXSHODFR-UHFFFAOYSA-N
SmilesC12(Cl)CC3CC(CC(C3)C1)C2
-
MassMS-NW-2314 1-chloroadamantane C10H15Cl (Mass of molecular ion: 170)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.0 27.0 2.6 29.0 1.2 39.0 4.6 41.0 4.8 51.0 1.5 53.0 2.5 55.0 2.4 65.0 2.3 67.0 5.3 69.0 1.1 77.0 5.4 78.0 1.8 79.0 15.0 80.0 3.2 81.0 4.5 91.0 4.6 92.0 2.0 93.0 12.7 94.0 1.4 105.0 1.1 107.0 4.3 113.0 1.1 135.0 100.0 136.0 11.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H15 Cl 0.042 g : 0.5 ml CDCl3 1-chloroadamantane 
Assign. Shift(ppm)
A 2.14 B 1.68
Hz ppm Int.191.44 2.138 1000 150.06 1.676 357
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
