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5,10,15,20-TETRAPHENYL-[2:3]-[[(ETHOXYCARBONYL)-METHYL]-(1-FLUORO-1-(3-CHLOROHEXFLUOROPROPYL)-METHYLENYL)]-PORPHYRIN
SpectraBase Compound ID BEhGPQxQ7ca
InChI InChI=1S/C55H40ClF7N4O4/c1-3-70-51(68)47(52(69)71-4-2)45-46(50(57)53(58,59)54(60,61)55(56,62)63)49-44(34-23-15-8-16-24-34)40-30-28-38(66-40)42(32-19-11-6-12-20-32)36-26-25-35(64-36)41(31-17-9-5-10-18-31)37-27-29-39(65-37)43(48(45)67-49)33-21-13-7-14-22-33/h5-30,45,47,65-66H,3-4H2,1-2H3/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,48-43-,49-44-,50-46+
InChIKey NOHGBDOIFABAMQ-LVUQVDAMSA-N
Mol Weight 989.4 g/mol
Molecular Formula C55H40ClF7N4O4
Exact Mass 988.262631 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kE7K86XiWs
Name 5,10,15,20-TETRAPHENYL-[2:3]-[[(ETHOXYCARBONYL)-METHYL]-(1-FLUORO-1-(3-CHLOROHEXFLUOROPROPYL)-METHYLENYL)]-PORPHYRIN
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H40ClF7N4O4
InChI InChI=1S/C55H40ClF7N4O4/c1-3-70-51(68)47(52(69)71-4-2)45-46(50(57)53(58,59)54(60,61)55(56,62)63)49-44(34-23-15-8-16-24-34)40-30-28-38(66-40)42(32-19-11-6-12-20-32)36-26-25-35(64-36)41(31-17-9-5-10-18-31)37-27-29-39(65-37)43(48(45)67-49)33-21-13-7-14-22-33/h5-30,45,47,65-66H,3-4H2,1-2H3/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,48-43-,49-44-,50-46+
InChIKey NOHGBDOIFABAMQ-LVUQVDAMSA-N
Literature Reference Author L.M.JIN,Z.ZENG,C.C.GUO,Q.Y.CHEN
Literature Reference Citation J.ORG.CHEM.,68,3912(2003)
Literature Reference DOI 10.1021/jo0207269
Solvent CDCl3
Source File Reference UWLU23263