小分子和化合物库

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11 项目

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  1. 己烯雌酚标准物质
    CAS号 : 56-53-1        Compound CID : 448537
    分子式: C18H20O2        分子量: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
  2. 己酸乙酯-d11
      规格或纯度 :
    • ≥98%,≥98% atom% D
    CAS号 : 2159-19-5        Compound CID : 91748626
    分子式: C8H5D11O2        分子量: 155.28
    IUPAC Name: ethyl 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoate
    SMILES: CCCCCC(=O)OCC
    InChIKey: SHZIWNPUGXLXDT-LELBNVJRSA-N
    InChI: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3/i1D3,3D2,5D2,6D2,7D2
  3. 胆固醇纯度标准物质
    CAS号 : 57-88-5       
    分子式: C27H46O        分子量: 386.65
    IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])[C@H](C)CCCC(C)C
    InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
    InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
  4. 尼泊金乙酯
    CAS号 : 120-47-8        Compound CID : 8434
    分子式: C9H10O3        分子量: 166.17
    IUPAC Name: ethyl 4-hydroxybenzoate
    SMILES: CCOC(=O)C1=CC=C(C=C1)O
    InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
    InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
  5. 药用甘油
    CAS号 : 56-81-5        Compound CID : 753
    分子式: C3H8O3        分子量: 92.09
    IUPAC Name: propane-1,2,3-triol
    SMILES: C(C(CO)O)O
    InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
    InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
  6. 乙醇胺
      规格或纯度 :
    • ≥99.7%
    CAS号 : 141-43-5        Compound CID : 700
    分子式: C2H7NO        分子量: 61.08
    IUPAC Name: 2-aminoethanol
    SMILES: C(CO)N
    InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
    InChI: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
  7. 顺式氯菊酯农药纯度标准物质
      规格或纯度 :
    • ≥99.7%
    • u=0.8(k=2)
    CAS号 : 54774-45-7        Compound CID : 40463
    分子式: C21H20Cl2O3        分子量: 391.29
    IUPAC Name: (3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
    SMILES: CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
    InChIKey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N
    InChI: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
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