2-ETHYLHEXANOIC ACID N-BUTYL ESTER(68443-63-0) 1H NMR
Product Name2-ETHYLHEXANOIC ACID N-BUTYL ESTER
CAS68443-63-0
Molecular FormulaC12H24O2
Molecular Weight200.32
InChIInChI=1S/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3
InChIKey USPADFUBVAGYOJ-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(CC)CCCC
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Assign. Shift(ppm)
A 4.08 B 2.26 C 1.86 to 1.10 D 0.93 E 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
176.49 508 1 63.89 784 2 47.51 1000 3 31.91 859 4 30.89 889 5 29.73 899 6 25.59 698 7 22.71 764 8 19.26 899 9 13.96 704 10 * 13.71 759 11 * 11.88 744 12Spectral 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