2-氯-1,4-萘醌(1010-60-2)红外图谱(IR1)
InChI:InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
InChIKey: CCTJHVLTAJTPBV-UHFFFAOYSA-N
Smiles:C1(=O)C2=C(C=CC=C2)C(=O)C=C1Cl
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Parameter ppm Hz
D(A) 8.105
D(B) 7.775
D(C) 7.783
D(D) 8.027
J(A,B) 7.76
J(A,C) 1.35
J(A,D) 0.52
J(B,C) 7.55
J(B,D) 1.25
J(C,D) 7.80
D(E) 7.551
CRECELY,R.W. ET AL. J.MOL.SPECTROSC. 32, 407 (1969)
Spectral Code: 1H NMR : parameter in THF
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Spectral Code: IR : KBr disc