正己酸乙酯(123-66-0)紅外圖譜(IR2)
InChI:InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey: SHZIWNPUGXLXDT-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCCCC
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Assign. Shift(ppm)
A 4.121
B 2.28
C 1.63
D 1.45 to 1.07
E 1.258
F 0.90
Spectral Code: 1H NMR : 90 MHz in CDCl3
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Spectral Code: Raman : 4880 A,200 M,liquid