乙酰柠檬酸三乙酯
产品名称
乙酰柠檬酸三乙酯
CAS号77-89-4
分子式C14H22O8
分子量318.32
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
InChIKeyWEAPVABOECTMGR-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 1.264
Spectral 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 10
Spectral Code: 13C NMR : in CDCl3
乙酰柠檬酸三乙酯(77-89-4)红外图谱(IR1) 相关产品图谱