癸酸正戊酯(5933-87-9)紅外圖譜(IR1)
InChI:InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
InChIKey: BGYFCELTJPRWBA-UHFFFAOYSA-N
Smiles:C(OCCCCC)(=O)CCCCCCCCC
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Assign. Shift(ppm)
A 4.051
B 2.28
C 1.62
D 1.27
E 0.91
F 0.88
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.94 434 1
64.40 561 2
34.47 556 3
31.95 490 4
29.51 657 5 *
29.34 1000 6 *
7 *
29.25 611 8 *
28.47 561 9 #
28.20 566 10 #
25.12 505 11
22.74 525 12 *1
22.39 485 13 *1
14.12 545 14 #1
13.99 404 15 #1
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid