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7-METHYL-3-OCTYNE(37050-06-9) Raman
Product Name7-METHYL-3-OCTYNE
CAS37050-06-9
Molecular FormulaC9H16
Molecular Weight124.22
InChIInChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4,7-8H2,1-3H3
InChIKey ZDXUMWBWHSCWBK-UHFFFAOYSA-N
SmilesCCC#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 0.890Spectral 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 8Spectral 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