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小分子和化合物库
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1,2-丙二醇-d₈CAS号: 80156-55-4分子式: CD3CD(OD)CD2OD 分子量: 84.14IUPAC Name: 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropaneSMILES: CC(CO)OInChIKey: DNIAPMSPPWPWGF-INOGVRQUSA-NInChI: 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D
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1,2-丙烷（二醇-d₂）CAS号: 58161-11-8分子式: CH3CH(OD)CH2OD 分子量: 78.11IUPAC Name: 1,2-dideuteriooxypropaneSMILES: CC(CO)OInChIKey: DNIAPMSPPWPWGF-KFRNQKGQSA-NInChI: 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i4D,5D
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1-十二烷-d₂₅-醇CAS号: 160776-83-0分子式: C12HD25O 分子量: 211.49IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecan-1-olSMILES: CCCCCCCCCCCCOInChIKey: LQZZUXJYWNFBMV-VVZIYBSUSA-NInChI: 1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
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4-氨基丁酸-2,2-d₂CAS号: 67910-98-9分子式: H2N(CH2)2CD2CO2H 分子量: 105.13IUPAC Name: 4-amino-2,2-dideuteriobutanoic acidSMILES: C(CC(=O)O)CNInChIKey: BTCSSZJGUNDROE-CBTSVUPCSA-NInChI: 1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i2D2
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L-亮氨酸-2,3,3,4,5,5,5,5',5',5'-d₁₀CAS号: 106972-44-5分子式: (CD3)2CDCD2CD(NH2)CO2H 分子量: 141.23IUPAC Name: (2S)-2-amino-2,3,3,4,5,5,5-heptadeuterio-4-(trideuteriomethyl)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-ZWFPVXGPSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3,2D3,3D2,4D,5D
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己二酸-d₁₀CAS号: 25373-21-1分子式: C6H2D8O4 分子量: 154.19IUPAC Name: dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioateSMILES: C(CCC(=O)O)CC(=O)OInChIKey: WNLRTRBMVRJNCN-YQMDOBQVSA-NInChI: 1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2,3D2,4D2/hD2
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棕榈酸-2,2-d₂CAS号: 62689-96-7分子式: C16H30D2O2 分子量: 258.44IUPAC Name: 2,2-dideuteriohexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-DOBBINOXSA-NInChI: 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)/i15D2
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甲酰胺-d₃CAS号: 43380-64-9分子式: DCOND2 分子量: 48.06IUPAC Name: N,N,1-trideuterioformamideSMILES: C(=O)NInChIKey: ZHNUHDYFZUAESO-AYQNKDEESA-NInChI: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1D/hD2
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肌酸-（甲基-d₃）一水合物CAS号: 284664-86-4 EC号: 200-306-6(unlabeled)分子式: C4H6D3N3O2•H2O 分子量: 134.151802IUPAC Name: 2-[carbamimidoyl(trideuteriomethyl)amino]acetic acid;hydrateSMILES: CN(CC(=O)O)C(=N)N.OInChIKey: MEJYXFHCRXAUIL-NIIDSAIPSA-NInChI: 1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2/i1D3;
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苄基-2,3,4,5,6-d₅醇CAS号: 68661-10-9分子式: C7H3D5O 分子量: 113.17IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)methanolSMILES: C1=CC=C(C=C1)COInChIKey: WVDDGKGOMKODPV-RALIUCGRSA-NInChI: 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1D,2D,3D,4D,5D
