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37050-06-9

7-METHYL-3-OCTYNE(37050-06-9)Raman光谱

产品名称:7-METHYL-3-OCTYNE

CAS:37050-06-9

分子式:C9H16

分子量: 124.22

InChI:InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3

InChIKey: ZDXUMWBWHSCWBK-UHFFFAOYSA-N

Smiles:CCC#CCCC(C)C

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        Assign.     Shift(ppm)
    A 2.38 to 1.95 B 1.61 C 1.44 D 1.11 E 0.890
    Spectral Code: 1H NMR : 90 MHz in CDCl3

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           ppm   Int.  Assign.
    81.45 246 1 79.56 268 2 38.35 492 3 27.33 656 4 22.27 1000 5 16.84 617 6 14.46 475 7 12.52 590 8
    Spectral Code: 13C NMR : in CDCl3

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    Spectral Code: IR : liquid film

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    Spectral Code: Raman : 4880 A,150M,liquid

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