Tetrahydrofurfuryl butyrate(2217-33-6) IR1
Product NameTetrahydrofurfuryl butyrate
CAS2217-33-6
Molecular FormulaC9H16O3
Molecular Weight172.22
InChIInChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
InChIKey DPZVDLFOAZNCBU-UHFFFAOYSA-N
SmilesC(OCC1CCCO1)(=O)CCC
-
Assign. Shift(ppm)
A 4.14 to 4.04 B *1 3.89 C *1 3.79 D 2.320 E 1.92 F 1.68 G 0.956Spectral Code: 1H NMR : 90 MHz in CDCl3
-
ppm Int. Assign.
173.39 251 1 76.69 893 2 68.42 1000 3 66.29 770 4 36.14 824 5 28.17 845 6 25.76 765 7 18.50 797 8 13.67 652 9Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : liquid film
-
Spectral Code: Raman : 4880 A,200 M,liquid
