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D -葡萄糖-1-¹³CCAS号 : 40762-22-9 Compound CID : 12285878分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-USBRANDWSA-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/i6+1
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乙酸钠-1-（¹³C）CAS号 : 23424-28-4分子式: CH313CO2Na 分子量: 83.03IUPAC Name: sodium;acetateSMILES: CC(=O)[O-].[Na+]InChIKey: VMHLLURERBWHNL-CGOMOMTCSA-MInChI: InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i2+1;
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棕榈酸-1-（¹³C）CAS号 : 57677-53-9 Compound CID : 9881577分子式: (13C)C15H32O2 分子量: 257.42IUPAC Name: (113C)hexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-NInChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
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甲酸钠-¹³CCAS号 : 23102-86-5分子式: H13CO2Na 分子量: 69.00IUPAC Name: sodium;oxo(113C)methanolateSMILES: C(=O)[O-].[Na+]InChIKey: HLBBKKJFGFRGMU-YTBWXGASSA-MInChI: InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1+1;
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苯乙酸-1,2-¹³C₂CAS号 : 68661-16-5 Compound CID : 12198010分子式: C6(13-C)2H8O2 分子量: 138.13IUPAC Name: 2-phenylacetic acidSMILES: C1=CC=C(C=C1)CC(=O)OInChIKey: WLJVXDMOQOGPHL-ANVYNZRWSA-NInChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/i6+1,8+1
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(苯硫甲基⁻¹³C)膦酸二乙酯CAS号 : 1190788-52-3 Compound CID : 99227分子式: C11H17O3PS 分子量: 260.29IUPAC Name: diethoxyphosphorylmethylsulfanylbenzeneSMILES: CCOP(=O)(CSC1=CC=CC=C1)OCCInChIKey: FBUXEPJJFVDUFE-UHFFFAOYSA-NInChI: InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)10-16-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
