《核磁共振解析》ppt课件

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1、2DNMR图谱结构鉴定:化合物2-1H-21aH-21bH-4H-3Me-23Me-201HNMRof2-1H-2C-1C-22C-9C-10C-4C-21C-3C-19C-2013CNMRof2-1C-2H-4H-3H-2Me-20H-18H-15H-14H-13aH-16aH-17aH-6H-7a1H,1H-COSYH-11aH-12aHMBC（高场区）C-3C-7H-19aH-3C-2C-18Me-20C-19H-21aH-21bC-8C-6C-5H-4检测的是核与核之间的关系DirectH-Cc

2、orrelations(HSQC)InteractionbetweenHandCatomsthroughonebond.1JC-HcorrelationsC-1H-1Spectrum13C1HSpectrum1H-1Hcorrelations(COSY)Protoninteractiontroughthreebonds.3JH-HcorrelationsH-1H-2Spectrum1НSpectrum1Н适用于重叠峰耦合的判断Long-range13C-1Hcorrelations(HMBC).Inte

3、ractionbetween13Сand1Нnucleitroughtwoandthreebonds.HMBCpeakscorrespondingto2-and3-bondscorrelationsareundistinguishable!С-1H-iH-kSpectrum13СSpectrum1НNuclearOverhauserEffect(NOE)Interactionbetween1H-1and1H-2whentheyaredistancedinthespacebyr<5Å.NOEproduce

4、dNOESY/ROESY2DNMRspectra.r2DNMR图谱的解析OrganicStructureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY&&HMBCdataisambiguous(2or3bondcorrelations–impossibletotellwhich)OrganicStructureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNE

5、CTIVITY–HSQCDATAABCDEFdCabcd’deflabelprotonsinlowercaselettersOrganicStructureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY–HSQCDATAATOMdC(ppm)DEPTdH(ppm)A131CH5.5B124CH5.2C68CH4.0D42CH23.02.5E23CH31.5F17CH31.2OrganicStructureAnalysis,

6、Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY–HSQCDATAOrganicStructureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY–HSQCDATAOrganicStructureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY–HSQCDATAOrganicStruc

7、tureAnalysis,Crews,RodriguezandJasparsSTRATEGYBASEDONC-HCONNECTIVITY–HSQCDATAdiastereotopicprotons为什么没有C-C相关谱？天然丰度低，1%，相关的几率1/10000需要大量的样品，要求溶解性极高需要很长的累积（次数）时间