D-3-BROMOCAMPHOR(76-29-9) MS
Molecular FormulaC10H15BrO
Molecular Weight231.13
InChIInChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3
InChIKey NJQADTYRAYFBJN-UHFFFAOYSA-N
SmilesC12(C)C(C)(C)C(CC1)C(Br)C2=O
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Assign. Shift(ppm)
A 4.625
B 2.306
C 2.084
D 1.885
E 1.695
F 1.431
G 1.085
J 0.974
K 0.937
J(A,B)=4.9HZ
J(B,C)=3.9HZ
J(C,D)=-13.3HZ
J(C,E)=3.9HZ
J(C,F)=9.4HZ
J(E,F)=-13.8HZ
ASSIGNED BY C-H AND H-H COSY.
Spectral Code: 1H NMR : 400 MHz in CDCl3