Tributyrin(60-01-5) Raman
Product NameTributyrin
CAS60-01-5
Molecular FormulaC15H26O6
Molecular Weight302.36
InChIInChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
InChIKey UYXTWWCETRIEDR-UHFFFAOYSA-N
SmilesC(OC(=O)CCC)C(OC(=O)CCC)COC(=O)CCC
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Assign. Shift(ppm)
A 5.28 B *1 4.29 C *1 4.18 D 2.30 E 1.65 F 0.96 J(A,B)=4.6HZ. J(A,C)=5.9HZ. J(B,C)=-11.9HZ.Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.01 627 1 172.63 318 2 69.01 398 3 62.14 622 4 36.10 423 5 35.95 721 6 18.41 1000 7 13.63 677 8Spectral 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
