Tributyrin
Product Name
Tributyrin
CAS60-01-5
MFC15H26O6
MW302.36
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
InChIKeyUYXTWWCETRIEDR-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 8
Spectral 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
Tributyrin(60-01-5)Raman Atlas of Related Products