核磁共振波谱（兰州大学） Chapter 5_Structural Elucidation 1D

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1、Chapter5:StructuralElucidationbyUsing1DNMRSpectroscopyCHO7864.5t126.8d127.2d128.2d140.8sUnsaturationNumber:IndexofHydrogenDeficiencyΩ=C+1–H/2–X/2+N/2(X=F,Cl,Br,I)Forexample:CHO78Ω=C+1–H/2–X/2+N/2=7+1–8/2=41HChemicalShiftsofCommonStructures13CChemicalShiftsofCommo

2、nStructuresRC=O2RCH=ORCOOHRCOOR’RCONH2(230-160)(160-120)(150-110)(80-50)(50-5)Problem1CHO7864.5t126.8d127.2d128.2d140.8sCHO783,5dd2,6CnHm32741Ω=n–m/2+1=47t5664.5td4126.8d127.2d1sTMS128.2d140.8sCDCI3ph-CH2-O-OHTMSProblem2CHO8826.3q128.2d128.4d132.9d137.1s197.8sCHO

3、dd882,63,5Ω=53226.3q41678128.2d4d5q8128.4d132.9d137.1sTMS71s197.8ssCDCI3CH3C=OTMSph-Problem3CHO3426.3q73.8d83.0sCHO3341DdtΩ=21232s50.0t73.8d83.0sTMSCH2CHOHTMSCDCI3Problem4CHNO3731.1q36.2q162.4d2’qCHNO37Ω=12,2’12q31.1q1d36.2qTMS162.4dCDCI3(CH3)2NCHOTMSCDCI3Problem

4、5CHOD4618.2q134.9d153.7d193.4dCHOD46Ω=2432118.2q134.9d153.7d234193.4dqdd1dTMSCH-CH=-CHO3=CH-CH3=CH-CHOTMSProblem6CHNO4720.8t30.3t42.4t179.4sC4H7NOt2324tΩ=220.8tt330.3t4142.4t179.4s1sTMSCDCI3CH-N2C-CHCH-CO22NH-COTMSCDCI3Problem7112.9d121.6dCHO542148.7d153.8s178.2d

5、112.9dD121.6dCHOAM54243148.7d153.8sΩ=4AX5261178.2dXMd4dd53d62sTMSMCHOX–CH=C(CHO)-OA=CH-O=CH-CH=TMSProblem8CHO712414.2q41.6t61.3t166.7sCHO7124Ω=2DCHCH-O-CO-CH-CO-O-CHCH14.2q32223432141.6t61.3tq1t2166.7s3st4TMSOCCH2-COCH3CH2-OTMSCDCI3Problem9CHD7850.4d75.2t143.3dCH

6、D781Ω=422d350.4d75.2t1d143.3d3tTMSCH22(CH=CH)2(CH)TMSProblem1016.1q21.0qCHO22.2q102023.2t25.8d31.7d34.6t45.1t50.1d71.3d516.1q187q921.0q7CHO6tddqq22.2q10202tt1Ω=13d4d1023.2t6225.8dTMS5331.7d434.6t845.1t50.1d109CDCI371.3d3(CH3)CH-OoverlapTMSCDCI3Problem1156.0qCHO88

7、3109.4d114.8d127.4d129.5s147.5s152.3s191.3dCHO88372d56.0q6dΩ=58q1109.4d5d62114.8d7d538127.4d4129.5s1s147.5s4ss3152.3sTMS191.3dCDCI3CHOABCH3O6,25AHHBHTMSOHProblem12CHNO482341.5tD44.2t167.9s177.1s2tt44321CHNOHN-CH-CO-NH-CH-COOH4823222Ω=21ss3D41.5t44.2t167.9s177.1sH

8、OOC-CH2-NHCH2-NH2TMSProblem13CHNO6822Ω=427.5q36.8q100.9d143.2d151.8s163.2sd7d65C6H8N2O2Ω=487162qq27.5q53368q48TMS100.9d4143.2d2ss151.8sCDCI3163.2s8CH3-N7CH3-NB