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methyl 2-ethylhexanoate (816-19-3) IR1
Product Namemethyl 2-ethylhexanoate
CAS816-19-3
Molecular FormulaC9H18O2
Molecular Weight158.24
InChIInChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N
SmilesC(OC)(=O)C(CC)CCCC
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Assign. Shift(ppm)
A 3.674 B 2.275 C *1 1.63 D *2 1.58 E *1 1.52 F *2 1.45 G 1.30 J 1.24 K 0.885Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
176.84 386 1 51.22 788 2 47.38 1000 3 31.93 937 4 29.78 872 5 25.59 939 6 22.73 907 7 13.97 807 8 11.88 762 9Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
