辛酸异丙酯(5458-59-3)红外图谱(IR1)
InChI:InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChIKey: WCGIIHOFOFCKSM-UHFFFAOYSA-N
Smiles:C(OC(C)C)(=O)CCCCCCC
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Assign. Shift(ppm)
A 5.00
B 2.24
C 1.60
D 1.28
E 1.227
F 0.88
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.35 365 1
67.29 569 2
34.79 563 3
31.78 558 4
29.18 614 5 *
29.04 599 6 *
25.15 548 7
22.68 574 8
21.90 1000 9
14.08 457 10
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