3,4,5,6-四氯熒光素(6262-21-1)紅外圖譜(IR1)
分子式:C20H8Cl4O5
分子量: 470.09
InChI:InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H
InChIKey: QCPFFGGFHNZBEP-UHFFFAOYSA-N
Smiles:C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)O2
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Assign. Shift(ppm)
A 10.2
B 6.946
C 6.689
D 6.568
J(B,D)=8.7HZ
J(C,D)=2.4HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
163.39 128 1
159.87 1000 2
152.09 742 3
148.37 241 4
138.85 80 5
134.82 95 6
130.26 99 7
128.70 434 8
127.21 129 9
123.98 174 10
112.65 411 11
106.53 696 12
102.31 453 13
81.63 227 14
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc