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5,10,15,20-TETRAPHENYL-2-[(CYANO)-(ETHOXYCARBONYL)-METHYL]-3-[1-FLUORO-1-(3-CHLOROHEXFLUOROPROPYL)-METHYLENYL]-PORPHYRIN
SpectraBase Compound ID L5bZCpD5MtE
InChI InChI=1S/C53H35ClF7N5O2/c1-2-68-50(67)34(29-62)45-46(49(55)51(56,57)52(58,59)53(54,60)61)48-44(33-21-13-6-14-22-33)40-28-26-38(65-40)42(31-17-9-4-10-18-31)36-24-23-35(63-36)41(30-15-7-3-8-16-30)37-25-27-39(64-37)43(47(45)66-48)32-19-11-5-12-20-32/h3-28,34,45,64-65H,2H2,1H3/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,47-43-,48-44-,49-46+
InChIKey PCQOFKIOZOWDLT-PPFKMHGUSA-N
Mol Weight 942.3 g/mol
Molecular Formula C53H35ClF7N5O2
Exact Mass 941.23675 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rZQwa2JkDl
Name 5,10,15,20-TETRAPHENYL-2-[(CYANO)-(ETHOXYCARBONYL)-METHYL]-3-[1-FLUORO-1-(3-CHLOROHEXFLUOROPROPYL)-METHYLENYL]-PORPHYRIN
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H35ClF7N5O2
InChI InChI=1S/C53H35ClF7N5O2/c1-2-68-50(67)34(29-62)45-46(49(55)51(56,57)52(58,59)53(54,60)61)48-44(33-21-13-6-14-22-33)40-28-26-38(65-40)42(31-17-9-4-10-18-31)36-24-23-35(63-36)41(30-15-7-3-8-16-30)37-25-27-39(64-37)43(47(45)66-48)32-19-11-5-12-20-32/h3-28,34,45,64-65H,2H2,1H3/b41-35-,41-37-,42-36-,42-38-,43-39-,44-40-,47-43-,48-44-,49-46+
InChIKey PCQOFKIOZOWDLT-PPFKMHGUSA-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 UWLU23264