Ethyl 2-isobutylacetoacetate(1522-34-5) 1H NMR
Product NameEthyl 2-isobutylacetoacetate
CAS1522-34-5
Molecular FormulaC10H18O3
Molecular Weight186.25
InChIInChI=1S/C10H18O3/c1-5-13-10(12)9(8(4)11)6-7(2)3/h7,9H,5-6H2,1-4H3
InChIKey ZGULNKYAODXSCS-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(C(C)=O)CC(C)C
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Assign. Shift(ppm)
A 4.19 B 3.50 C 2.220 D 2.06 to 1.42 E 1.275 F 0.91Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
203.09 405 1 170.11 371 2 61.24 956 3 58.26 834 4 37.03 815 5 28.55 776 6 26.30 1000 7 22.53 859 8 22.20 956 8 14.14 922 9Spectral 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
