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1,4,8,11,15,18,22,25-OCTA-(3-METHYLBUTYL)-PHTHALOCYANINE

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1,4,8,11,15,18,22,25-OCTA-(3-METHYLBUTYL)-PHTHALOCYANINE
SpectraBase Compound ID HUVlXnw86aY
InChI InChI=1S/C72H98N8/c1-41(2)17-25-49-33-34-50(26-18-42(3)4)58-57(49)65-73-66(58)78-68-61-53(29-21-45(9)10)37-38-54(30-22-46(11)12)62(61)70(75-68)80-72-64-56(32-24-48(15)16)40-39-55(31-23-47(13)14)63(64)71(76-72)79-69-60-52(28-20-44(7)8)36-35-51(27-19-43(5)6)59(60)67(74-69)77-65/h33-48H,17-32H2,1-16H3,(H2,73,74,75,76,77,78,79,80)
InChIKey VAYGECQPWLDVDQ-UHFFFAOYSA-N
Mol Weight 1075.6 g/mol
Molecular Formula C72H98N8
Exact Mass 1074.791445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ds1k2EEAnbX
Name 1,4,8,11,15,18,22,25-OCTA-(3-METHYLBUTYL)-PHTHALOCYANINE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H98N8
InChI InChI=1S/C72H98N8/c1-41(2)17-25-49-33-34-50(26-18-42(3)4)58-57(49)65-73-66(58)78-68-61-53(29-21-45(9)10)37-38-54(30-22-46(11)12)62(61)70(75-68)80-72-64-56(32-24-48(15)16)40-39-55(31-23-47(13)14)63(64)71(76-72)79-69-60-52(28-20-44(7)8)36-35-51(27-19-43(5)6)59(60)67(74-69)77-65/h33-48H,17-32H2,1-16H3,(H2,73,74,75,76,77,78,79,80)
InChIKey VAYGECQPWLDVDQ-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 1075.624 g/mol
Solvent CDCl3
Source File Reference UWIR10108