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[求助]
求助氟谱参考化学位移表
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本人最近做氟化学相关合成，需要氟谱的参考化学位移表，求助大神们，感激万分 |
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chihaijun
至尊木虫 (著名写手)
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小维尼Winne(200782060代发): 金币+10, 感谢应助 2017-06-29 22:20:24
小维尼Winne(200782060代发): 金币+10, 感谢应助 2017-06-29 22:20:24
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也是网上copy某位大神的，仅供参考： 19F Chemical Shifts and Coupling Constants Table of Chemical Shift Ranges Type of Compound Chemical Shift Range (ppm)Relative to neat CFCl3 -F-C=O -70 to -20 -CF3- +40 to +80 -CF2- +80 to +140 -CF- +140 to +250 -ArF- +80 to +170 Chemical Shift Table Negative shifts are those that appear upfield of CFCl3 and positive shifts are those that appear downfield. Compound Chemical Shift (ppm)Relative to neat CFCl3 CFCl3 0.00 MeF -271.9 CF3H (in CFCl3) -78.6 CF3H (in EtO) -78.6 CF2H2 -143.6 EtF -213 FCH=CH2 -114 F2C=CH2 -81.3 F2C=CF2 -135 CF3COOH (in CFCl3) -76.55 CF3COOH (neat) -78.5 CF3COOH (in CCl4 -76.3 CF3COOC6H6 -73.85 CF3COOCH2C6H6 -75.02 CF3COOCH3 -74.21 CF3COOEt (neat) -78.7 CF3COO(CH2)n -74 to -75 C6F6 -164.9 C6H5F -113.5 p-FC6H4F -106.0 CFH2Ph -207 C6H5CF3 -63.72 C4F8 -135.15 C5F10 -132.9 CF3R -60 to -70 CHF2OR ~-82 (CF3)2CO -84.6 CH2CN -251 F2 +422.92 CF3Cl -28.6 ClF3 +116, -4 ClF5 +247,+412 CF2Cl2 -8 CFCl2CFCl2 -67.8 CFBr3 +7.38 CF2Br2 +7 IF4F(equatorial) +58.9 IF7 +170 AsF3 -40.6 AsF5 -66 [AsF6]-1 -69.5 BF3 -131.3 (CH3)2O.BF3 -158.3 (C2H5)2O.BF3 -153 [BeF4]-1 -163 MoF6 -278 ReF7 +345 SF6 +57.42 SO2F -78.5 S2O5F2 +47.2 SbF5 -108 [SbF6]-1 -109 SeF6 +55 (C2H5)2SiF2 -143.0 SiF4 -163.3 [SiF6]-2 -127 TeF6 -57 WF6 +166 XeF2 +258 XeF4 +438 XeF6 +550 NF3 147 SOF2 75.68 C6H5SO2F (dilute) 65.464 C6H5SO2F (20% conc) 65.514 SF6 (dilute) 57.617 SF6 (10% conc 57.42 SO2F2 33.17 CBr3F (dilute) 7.388 CBr3F (80% conc) 7.043 CCl2F2 -6.848 CClF3 -28.1 PF3 -34.0 (CF3)3N (dilute) -55.969 (CF3)3N (30% conc) -55.969 CF3CF2CF2I -60.470 CF4 -62.3 C6H5CF3 (dilute) -63.732 C6H5CF3 (40% conc) -63.370 PF5 -71.5 CCl2F.CCl2F (dilute) -67.775 CCl2F.CCl2F (20% conc) -67.834 (CF3)3CF -74.625 CF3CO2H (dilute) -76.530 CF3CO2H (20% conc) -76.542 CF3(CF2)5CF3 -81.60 CF3(CF2)2CF3 -81.85 [CF3CF2CF2]N -85.19 POF3 -90.7 CF3CF2CF2CF2CN -107.1 CF3CF2CF2CF2CN -105.764 Homonuclear Couplings Listed Coupling constant values pertain to Fs shown in bold. Compound Coupling Constant (Hz) (CF3CF2)2NCF3 10.2 (CF3CF2)2NCF3 15.18 (CF3CF2)2NCF3 6.8 [CF3CF2]3N 13.6 CF3CF2N[CF3]2 <1 CF3CF2N[CF3]2 16 CF3CF2N[CF3]2 6 (CF3CF2)2O 3.4 (CF3]3CF 1.4 CF3CF2H 2.8 CF3CFH2 15.5 CF3CF2CHF2 4.5 CF3CF2CHF2 7.3 CF3CF2CH2F 15.2 CF3CF2CH2F 7.9 CF2Cl.CF2.CH2F 15.1 CF2Cl.CF2.CH2F 7.7 CF2Cl.CF2.CH2F 3.9 CF2Br.CF2.CH2F 15.5 CF2Br.CF2.CH2F 7.7 CF2Br.CF2.CH2F 3.9 CFFBr.CHFBr 21 CFFBr.CHFBr 24 CFFBr.CHFBr 174 CFFBr.CHFCl 18 CFFBr.CHFCl 18 CFFBr.CHFCl 177 CFFBr.CFClBr 13 CFFBr.CFClBr 14 CFFBr.CFClBr 159 CFF(SiCl3).CFClBr 16.8 CFF(SiCl3).CFClBr 16.8 CFF(SiCl3).CFClBr 343 CF3.CFF.CFICl 270.4 CFF=CFCl 76 CFF=CFCl (cis) 56 CFF=CFCl (trans) 116 CFCl=CFCl (cis) 37.5 CFCl=CFCl (trans) 129.57 CFF=CFCF3 57 CFF=CFCF3 (cis) 39 CFF=CFCF3 (trans) 116 CFF=CFCF3 (trans) 8 CFF=CFCF3 (cis) 22 CFF=CFCF3 13 (cyclopropane) CH2.CFF.CHCH3 157 (cyclobutane) CH2.CFF.CCl2.CCl2 187 (cyclobutene) CFF.CH(C2H5).CCl2=CCl 192 (cyclobutane) CFF.CFF.CH2.CHCClH2 230 (cyclobutane) CFF.CFF.CH2.CHCClH2 240 (cyclohexane) CFH.CFH.CFH.CFH.CFH.CFF 284 |
2楼2017-06-19 13:25:43
3楼2017-06-21 21:46:59
