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1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine

View entire compound with spectra: 2 NMR, and 1 FTIR

1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine
SpectraBase Compound ID GvZWEVXDxvG
InChI InChI=1S/C64H82N8O8/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57/h25-32H,9-24,33-40H2,1-8H3,(H2,65,66,67,68,69,70,71,72)
InChIKey KAPOSTKECKHKAP-UHFFFAOYSA-N
Mol Weight 1091.4 g/mol
Molecular Formula C64H82N8O8
Exact Mass 1090.625562 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BrKZDYhmEGl
Name 1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 383805
CAS Registry Number 116453-73-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H82N8O8
InChI 1S/C64H82N8O8/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57/h25-32H,9-24,33-40H2,1-8H3,(H2,65,66,67,68,69,70,71,72)
InChIKey KAPOSTKECKHKAP-UHFFFAOYSA-N
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008354