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2-METHYL-3-OCTANOL(26533-34-6) Raman
Product Name2-METHYL-3-OCTANOL
CAS26533-34-6
Molecular FormulaC9H20O
Molecular Weight144.25
InChIInChI=1S/C9H20O/c1-4-5-6-7-9(10)8(2)3/h8-10H,4-7H2,1-3H3
InChIKey DIVBBSLQUDHECU-UHFFFAOYSA-N
SmilesCC(C)C(O)CCCCC
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Assign. Shift(ppm)
A 3.35 B 1.66 C 1.36 D 0.91 E 0.90Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
76.80 1000 1 34.31 668 2 33.64 832 3 32.14 641 4 25.89 603 5 22.78 658 6 18.96 609 7 17.22 647 7 14.09 630 8Spectral 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