DL-MALIC ACID DI-N-BUTYL ESTER(6280-99-5) IR1
Molecular FormulaC12H22O5
Molecular Weight246.3
InChIInChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
InChIKey PDSCSYLDRHAHOX-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(O)CC(OCCCC)=O
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ppm Int. Assign.
173.53 497 1
170.61 650 2
67.36 607 3
65.87 645 4 *
64.91 705 5 *
38.81 612 6
30.61 869 7 #
30.56 825 8 #
19.10 907 9 *1
19.06 836 10 *1
13.66 1000 11
12
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film