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1,4,8,11,15,18,22,25-OCTA-(6-METHYLHEPTYL)-PHTHALOCYANINE
SpectraBase Compound ID GsLIPO7zXWL
InChI InChI=1S/C96H146N8/c1-65(2)41-25-17-33-49-73-57-58-74(50-34-18-26-42-66(3)4)82-81(73)89-97-90(82)102-92-85-77(53-37-21-29-45-69(9)10)61-62-78(54-38-22-30-46-70(11)12)86(85)94(99-92)104-96-88-80(56-40-24-32-48-72(15)16)64-63-79(55-39-23-31-47-71(13)14)87(88)95(100-96)103-93-84-76(52-36-20-28-44-68(7)8)60-59-75(83(84)91(98-93)101-89)51-35-19-27-43-67(5)6/h57-72H,17-56H2,1-16H3,(H2,97,98,99,100,101,102,103,104)
InChIKey YZNZATHHHGHKJA-UHFFFAOYSA-N
Mol Weight 1412.3 g/mol
Molecular Formula C96H146N8
Exact Mass 1411.167047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mXMdD5hHmX
Name 1,4,8,11,15,18,22,25-OCTA-(6-METHYLHEPTYL)-PHTHALOCYANINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H146N8
InChI InChI=1S/C96H146N8/c1-65(2)41-25-17-33-49-73-57-58-74(50-34-18-26-42-66(3)4)82-81(73)89-97-90(82)102-92-85-77(53-37-21-29-45-69(9)10)61-62-78(54-38-22-30-46-70(11)12)86(85)94(99-92)104-96-88-80(56-40-24-32-48-72(15)16)64-63-79(55-39-23-31-47-71(13)14)87(88)95(100-96)103-93-84-76(52-36-20-28-44-68(7)8)60-59-75(83(84)91(98-93)101-89)51-35-19-27-43-67(5)6/h57-72H,17-56H2,1-16H3,(H2,97,98,99,100,101,102,103,104)
InChIKey YZNZATHHHGHKJA-UHFFFAOYSA-N
Literature Reference Author D.J.TATE,R.ANEMIAN,R.J.BUSHBY,S.NANAN,S.L.WARRINER,B.J.WHITA KER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,120(2012)
Literature Reference DOI 10.3762/bjoc.8.14
Molecular Weight 1412.269 g/mol
Solvent CDCl3
Source File Reference UWIR10122