Triethyl acetyl citrate (77-89-4) IR1
Product NameTriethyl acetyl citrate
CAS77-89-4
Molecular FormulaC14H22O8
Molecular Weight318.32
InChIInChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
InChIKey WEAPVABOECTMGR-UHFFFAOYSA-N
SmilesC(C(OCC)=O)C(OC(C)=O)(C(OCC)=O)CC(OCC)=O
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Assign. Shift(ppm)
A 4.19 B 4.17 C *1 3.26 D *1 3.21 E 2.066 F 1.282 G 1.264Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
169.47 386 1 * 169.36 490 2 * 168.87 881 3 78.19 678 4 62.05 495 5 60.79 1000 6 38.77 827 7 20.93 347 8 14.15 871 9 13.91 406 10Spectral Code: 13C NMR : in CDCl3
