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12-氨基-4,7,10-三氧杂十二烷酸叔丁酯CAS号 : 252881-74-6 Compound CID : 16218573分子式: C13H27NO5 分子量: 277.36IUPAC Name: tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoateSMILES: CC(C)(C)OC(=O)CCOCCOCCOCCNInChIKey: CWFSAZJIJBTKRC-UHFFFAOYSA-NInChI: InChI=1S/C13H27NO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11,14H2,1-3H3
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氮杂环丁烷-3-基甲醇CAS号 : 95849-02-8 Compound CID : 13400658分子式: C4H9NO 分子量: 87.12IUPAC Name: azetidin-3-ylmethanolSMILES: C1C(CN1)COInChIKey: GNVWVYIAQBJHGV-UHFFFAOYSA-NInChI: InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2
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(S)-3-丁烯-1,2-二醇CAS号 : 62214-39-5 Compound CID : 6999958分子式: C4H8O2 分子量: 88.11IUPAC Name: (2S)-but-3-ene-1,2-diolSMILES: C=CC(CO)OInChIKey: ITMIAZBRRZANGB-BYPYZUCNSA-NInChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1
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9-甲基-9 H -芴-9-羰基- 13C氯化物CAS号 : 1072315-89-9 Compound CID : 60200440分子式: C15H11ClO 分子量: 243.69IUPAC Name: 9-methylfluorene-9-carbonyl chlorideSMILES: CC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)ClInChIKey: ZQYOOHGEBHBNTP-UJKGMGNHSA-NInChI: InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3/i14+1
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5-甲基异噁唑-3-甲酰氯CAS号 : 39499-34-8 Compound CID : 2736894分子式: C5H4ClNO2 分子量: 145.5IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chlorideSMILES: CC1=CC(=NO1)C(=O)ClInChIKey: XMVNMWDLOGSUSM-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
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五氟苯基硫代异氰酸酯CAS号 : 35923-79-6 Compound CID : 123452分子式: C7F5NS 分子量: 225.14IUPAC Name: 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzeneSMILES: C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=SInChIKey: NGNKMRBGZPDABE-UHFFFAOYSA-NInChI: InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
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β-D-葡萄糖CAS号 : 28905-12-6 Compound CID : 64689分子式: C6H12O6 分子量: 180.15IUPAC Name: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
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4-甲酰基-1H-吡咯-2-羧酸甲酯CAS号 : 40611-79-8 Compound CID : 640310分子式: C7H7NO3 分子量: 153.1IUPAC Name: methyl 4-formyl-1H-pyrrole-2-carboxylateSMILES: COC(=O)C1=CC(=CN1)C=OInChIKey: MIBDQVZPRVDXQP-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1H3
