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肌醇(87-89-8)红外图谱(IR1)

产品名称:肌醇

CAS:87-89-8

分子式:C6H12O6

分子量: 180.16

InChI:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

InChIKey: CDAISMWEOUEBRE-GPIVLXJGSA-N

Smiles:O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C6 H12 O6 0.037 g : 0.5 ml D2O
    myo-inositol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.064 B 3.624 C 3.541 D 3.283 J(A,C)=2.8HZ J(B,C)=10.0HZ J(B,D)=9.2HZ THE SOLVENT PEAK SUPPRESED.

         Hz     ppm     Int.
    

       1627.44   4.073    326
       1624.63   4.066    661
       1621.70   4.058    401
       1459.96   3.654    465
       1450.07   3.629   1000
       1444.46   3.615     43
       1440.67   3.605    919
       1428.10   3.574     22
       1427.12   3.571     23
       1425.78   3.568     25
       1425.17   3.567     25
       1420.41   3.555    926
       1417.60   3.548    938
       1410.40   3.530    507
       1407.59   3.523    554
       1320.80   3.305    414
       1311.52   3.282    641
       1302.25   3.259    306
    

in D2O



KBr disc



nujol mull



4880 A,200 M,powder



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