2,3,4,5-四氯-6-(2,4,5,7-四溴-6-羟基-3-氧代-3H-占吨-9-基)苯甲酸(13473-26-2)核磁图(1HNMR)
分子式:C20H4Br4Cl4O5
分子量: 785.67
InChI:InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H
InChIKey: ZYIBVBKZZZDFOY-UHFFFAOYSA-N
Smiles:C12(C3=C(C(Br)=C(O)C(Br)=C3)OC3=C1C=C(Br)C(O)=C3Br)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(=O)O2
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Assign. Shift(ppm)
A 10.9
B 7.583
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
162.95 301 1
153.68 790 2
147.73 536 3
146.35 268 4
138.64 239 5
135.27 345 6
131.24 266 7
129.71 807 8
126.68 276 9
124.62 279 10
109.74 1000 11
107.49 678 12
100.17 836 13
79.36 315 14
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc