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1,4,8,11,15,18,22,25-OCTA-(4-METHYLPENTYL)-PHTHALOCYANINE

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1,4,8,11,15,18,22,25-OCTA-(4-METHYLPENTYL)-PHTHALOCYANINE
SpectraBase Compound ID KrC20MWVhxU
InChI InChI=1S/C80H114N8/c1-49(2)25-17-33-57-41-42-58(34-18-26-50(3)4)66-65(57)73-81-74(66)86-76-69-61(37-21-29-53(9)10)45-46-62(38-22-30-54(11)12)70(69)78(83-76)88-80-72-64(40-24-32-56(15)16)48-47-63(39-23-31-55(13)14)71(72)79(84-80)87-77-68-60(36-20-28-52(7)8)44-43-59(35-19-27-51(5)6)67(68)75(82-77)85-73/h41-56H,17-40H2,1-16H3,(H2,81,82,83,84,85,86,87,88)
InChIKey IAEFCHYOVQZLOL-UHFFFAOYSA-N
Mol Weight 1187.8 g/mol
Molecular Formula C80H114N8
Exact Mass 1186.916646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7i0aBlExHBH
Name 1,4,8,11,15,18,22,25-OCTA-(4-METHYLPENTYL)-PHTHALOCYANINE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H114N8
InChI InChI=1S/C80H114N8/c1-49(2)25-17-33-57-41-42-58(34-18-26-50(3)4)66-65(57)73-81-74(66)86-76-69-61(37-21-29-53(9)10)45-46-62(38-22-30-54(11)12)70(69)78(83-76)88-80-72-64(40-24-32-56(15)16)48-47-63(39-23-31-55(13)14)71(72)79(84-80)87-77-68-60(36-20-28-52(7)8)44-43-59(35-19-27-51(5)6)67(68)75(82-77)85-73/h41-56H,17-40H2,1-16H3,(H2,81,82,83,84,85,86,87,88)
InChIKey IAEFCHYOVQZLOL-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 1187.839 g/mol
Solvent CDCl3
Source File Reference UWIR10120