丁基环己烷(1678-93-9)红外图谱(IR1)
InChI:InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
InChIKey: GGBJHURWWWLEQH-UHFFFAOYSA-N
Smiles:C1(CCCC)CCCCC1
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Assign. Shift(ppm)
A 1.74 to 1.64
B 1.64
C 1.33 to 1.13
D 1.13
E 0.88
F 0.87
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
37.80 524 1 *
37.36 492 2 *
33.59 1000 3
29.26 492 4
26.90 475 5
26.59 945 6
23.13 486 7
14.18 440 8
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,liquid