顺式-菊酸(15259-78-6)核磁图(1HNMR)
InChI:InChI=1/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/s3
InChIKey: XLOPRKKSAJMMEW-KWTCHIRYNA-N
Smiles:[C@@H]1(C(O)=O)C(C)(C)[C@@H]1/C=C(/C)\C |&1:0,7,r|
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Parameter ppm Hz
D(A) 1.96
D(B) 1.69
D(C) 5.36
D(D) *1 1.86
D(E) *1 1.80
J(A,B) 8.7
J(A,C) 8.1
J(A,D) 0.
J(A,E) 0.
J(B,C) 0.
J(B,D) 0.
J(B,E) 0.
J(C,D) 1.4
J(C,E) 1.4
J(D,E) 0.
D(F) 12.04
D(G) 1.31
HUTTON,H.M. & SCHAEFER,T. CAN.J.CHEM. 40, 875 (1962)
Spectral Code: 1H NMR : parameter in CS2