二丙二醇甲醚(34590-94-8)核磁圖(1HNMR)
InChI:InChI=1S/C7H16O3/c1-9-5-3-7-10-6-2-4-8/h8H,2-7H2,1H3
InChIKey: QCAHUFWKIQLBNB-UHFFFAOYSA-N
Smiles:C(O)CCOCCCOC
-
Assign. Shift(ppm)
A 3.94
B *1 3.67
B *1 3.601
C *2 3.67
C *2 3.479
D 3.381
E 3.37
F *2 3.30
G *1 3.207
J *3 1.143
J *3 1.139
K *3 1.132
K *3 1.113
MIXTURE OF OPTICAL ISOMERS.
ASSIGNED BY C-H COSY.
Spectral Code: 1H NMR : 400 MHz in CDCl3
-
ppm Int. Assign.
76.76 895 1
76.72 975 1
75.70 815 2
75.64 815 2
74.72 740 3
74.55 890 3
66.94 810 4
65.98 910 4
59.01 1000 5
18.74 725 6
18.60 660 6
17.10 605 7
16.87 635 7
Mixture of diastereomers.
Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: Raman : 4880 A,200 M,liquid