cis-2-甲基环己醇(7443-70-1)核磁图(1HNMR)
InChI:InChI=1/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7+/s3
InChIKey: NDVWOBYBJYUSMF-ZCIVMJCZNA-N
Smiles:[C@@H]1(O)CCCC[C@@H]1C |&1:0,6,r|
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Assign. Shift(ppm)
A 3.776
B 1.744
C 1.64
D 1.64 to 1.54
E 1.53
F 1.50
G 1.45 to 1.32
J 1.27
K 0.942
J(A,B)=5.3HZ. J(A,F)=J(A,C)=2.7HZ. J(C,K)=7.2HZ.
Spectral Code: 1H NMR : 400 MHz in CDCl3