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ERUCIC ACID ETHYL ESTER(37910-77-3) IR1
Product NameERUCIC ACID ETHYL ESTER
CAS37910-77-3
Molecular FormulaC24H46O2
Molecular Weight366.62
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKey WFZQLUSOXHIVKL-QXMHVHEDSA-N
SmilesC(OCC)(=O)CCCCCCCCCCC/C=C\CCCCCCCC
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Assign. Shift(ppm)
A *1 5.37 B *1 5.32 C 4.118 D 2.29 E 2.01 F 1.61 G 1.27 J 1.255 K 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.80 303 1 129.91 557 2 60.11 258 3 34.42 262 4 32.00 294 5 29.85 656 6 29.63 846 7 8 * 29.41 1000 9 * 10 29.24 416 11 27.28 516 12 25.06 290 13 22.75 317 14 14.28 249 15 14.13 271 16Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
