小分子和化合物库

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6 项目

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  1. 桂酸桂酯
      规格或纯度 :
    • ≥80%(GC)
    CAS号 : 122-69-0        Compound CID : 1550890
    分子式: C6H5CH=CHCO2CH2CH=CHC6H5        分子量: 264.32
    IUPAC Name: [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
    SMILES: C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2
    InChIKey: NQBWNECTZUOWID-MZXMXVKLSA-N
    InChI: InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
  2. 枞酸乙酯
      规格或纯度 :
    • ≥80%(GC)
    CAS号 : 631-71-0        Compound CID : 61182
    分子式: C22H34O2        分子量: 330.51
    IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    SMILES: CCOC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C
    InChIKey: AGUBCDYYAKENKG-YVNJGZBMSA-N
    InChI: InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
  3. 甲基紫罗兰酮(α,β-位的混合物,α-正为主)
      规格或纯度 :
    • ≥80%(GC)
    CAS号 : 7779-30-8        Compound CID : 5371084
    分子式: C14H22O        分子量: 206.33
    IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
    SMILES: CCC(=O)C=CC1C(=CCCC1(C)C)C
    InChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-N
    InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
  4. 乙二胺四乙酸 二钠盐 二水合物
    CAS号 : 6381-92-6        Compound CID : 44120005
    分子式: C10H14N2Na2O8·2H2O        分子量: 372.24
    IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
    SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+]
    InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-L
    InChI: InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
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