1,12-十二烷二醇
产品名称
1,12-十二烷二醇
CAS号5675-51-4
分子式C12H26O2
分子量202.33
InChIInChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKeyGHLKSLMMWAKNBM-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCCCO
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Assign. Shift(ppm)
A 3.63
B 1.54
C 1.54
D 1.28
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
63.04 619 1
32.81 690 2
29.56 1000 3
29.44 905 4
25.76 738 5
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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