小分子和化合物库

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  1. 硫酸奎宁荧光标准物质
    CAS号: 6119-70-6        Compound CID : 16211610
    分子式: C40H48N4O4.H2SO4.2H2O        分子量: 782.95
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-N
    InChI: 1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;See more
  2. 油酸-d17
      规格或纯度 :
    • ≥99% deuterated forms(d1-d17)
    • 5mg/mL in methyl acetate
    CAS号: 223487-44-3
    分子式: C18H17D17O2        分子量: 299.57
    IUPAC Name: (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acid
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
    InChIKey: ZQPPMHVWECSIRJ-DUGYPAGXSA-N
    InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
  3. 蔗糖
    CAS号: 57-50-1        EC号: 200-334-9
    分子式: C12H22O11        分子量: 342.3
    IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
    InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N
    InChI: 1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
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