D-Mannitol (69-65-8) IR1
Product NameD-Mannitol
CAS69-65-8
Molecular FormulaC6H14O6
Molecular Weight182.17
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey FBPFZTCFMRRESA-KVTDHHQDSA-N
SmilesOC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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Assign. Shift(ppm)
A 4.42 B 4.35 C 4.15 D 3.610 E 3.540 F 3.45 G 3.38 ASSIGNED BY H-H COSY. J(A,F)=5.4HZ J(B,D)=J(B,G)=5.7HZ J(C,E)=7.1HZ J(D,G)=-10.7HZ J(D,F)=3.3HZ J(G,F)=5.6HZSpectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
72.05 1000 1 70.48 984 2 64.36 994 3Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
