苯頻哪醇(464-72-2)Raman光譜
InChI:InChI=1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
InChIKey: MFEWNFVBWPABCX-UHFFFAOYSA-N
Smiles:C(C1=CC=CC=C1)(C1=CC=CC=C1)(O)C(C1=CC=CC=C1)(C1=CC=CC=C1)O
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Assign. Shift(ppm)
A 7.45 to 6.98
B 3.02
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
144.17 316 1
128.61 1000 2
127.29 863 3
126.93 409 4
83.05 164 5
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull