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5,10,15,20-TETRAPHENYL-[2:3]-[[(METHOXYCARBONYL)-METHYL]-(1-FLUORO-1-(3-CHLOROHEXFLUOROPROPYL)-METHYLENYL)]-PORPHYRIN
SpectraBase Compound ID 2sxZAXVczIk
InChI InChI=1S/C53H36ClF7N4O4/c1-68-49(66)45(50(67)69-2)43-44(48(55)51(56,57)52(58,59)53(54,60)61)47-42(32-21-13-6-14-22-32)38-28-26-36(64-38)40(30-17-9-4-10-18-30)34-24-23-33(62-34)39(29-15-7-3-8-16-29)35-25-27-37(63-35)41(46(43)65-47)31-19-11-5-12-20-31/h3-28,43,45,63-64H,1-2H3/b39-33-,39-35-,40-34-,40-36-,41-37-,42-38-,46-41-,47-42-,48-44+
InChIKey CZGGFPBQDZTGGQ-OUSHQDDJSA-N
Mol Weight 961.3 g/mol
Molecular Formula C53H36ClF7N4O4
Exact Mass 960.23133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4HsPDIfbfU
Name 5,10,15,20-TETRAPHENYL-[2:3]-[((METHOXYCARBONYL)-METHYL)-(1-FLUORO-1-(3-CHLOROHEX-FLUOROPROPYL)-METHYLENYL)]-PORPHYRIN
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H36ClF7N4O4
InChI InChI=1S/C53H36ClF7N4O4/c1-68-49(66)45(50(67)69-2)43-44(48(55)51(56,57)52(58,59)53(54,60)61)47-42(32-21-13-6-14-22-32)38-28-26-36(64-38)40(30-17-9-4-10-18-30)34-24-23-33(62-34)39(29-15-7-3-8-16-29)35-25-27-37(63-35)41(46(43)65-47)31-19-11-5-12-20-31/h3-28,43,45,63-64H,1-2H3/b39-33-,39-35-,40-34-,40-36-,41-37-,42-38-,46-41-,47-42-,48-44+
InChIKey CZGGFPBQDZTGGQ-OUSHQDDJSA-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
Molecular Weight 961.335 g/mol
Solvent CDCl3
Source File Reference UWLU23244