雙酚酸(126-00-1)紅外圖譜(IR1)
InChI:InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
InChIKey: VKOUCJUTMGHNOR-UHFFFAOYSA-N
Smiles:C(C)(CCC(=O)O)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1
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Assign. Shift(ppm)
A 12.0
B 9.19
C 6.957
D 6.672
E 2.234
F 1.951
G 1.469
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
174.41 125 1
155.04 565 2
139.39 435 3
127.70 1000 4
114.77 880 5
43.94 235 6
36.56 140 7
30.08 130 8
27.30 145 9
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull