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4-BROMOBUTOXY-BORON-SUBPHTHALOCYANINE

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4-BROMOBUTOXY-BORON-SUBPHTHALOCYANINE
SpectraBase Compound ID 69oxmLNSc32
InChI InChI=1S/C27H18BBrN6O2/c29-15-36-13-14-37-28-33-22-16-7-1-2-8-17(16)23(33)31-25-20-11-5-6-12-21(20)27(35(25)28)32-26-19-10-4-3-9-18(19)24(30-22)34(26)28/h1-12H,13-15H2
InChIKey MAIMICTUAYAWSL-UHFFFAOYSA-N
Mol Weight 549.2 g/mol
Molecular Formula C27H18BBrN6O2
Exact Mass 548.076767 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITBkr3QGcG9
Name 4-BROMOBUTOXY-BORON-SUBPHTHALOCYANINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18BBrN6O2
InChI InChI=1S/C27H18BBrN6O2/c29-15-36-13-14-37-28-33-22-16-7-1-2-8-17(16)23(33)31-25-20-11-5-6-12-21(20)27(35(25)28)32-26-19-10-4-3-9-18(19)24(30-22)34(26)28/h1-12H,13-15H2
InChIKey MAIMICTUAYAWSL-UHFFFAOYSA-N
Literature Reference Author C.BONNIER,T.P.BENDER
Literature Reference Citation MOLECULES,20,18237(2015)
Literature Reference DOI 10.3390/molecules201018237
Solvent CDCl3
Source File Reference UWPA5299