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4,4-Difluoro-8-(4'-iodophenyl)-1,7-bis-(1'-naphthyl)-4-bora-3A,4A-diaza-S-indancene

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4,4-Difluoro-8-(4'-iodophenyl)-1,7-bis-(1'-naphthyl)-4-bora-3A,4A-diaza-S-indancene
SpectraBase Compound ID KGZKmm4Y41Y
InChI InChI=1S/C35H22BF2IN2/c37-36(38)40-31(29-13-5-9-23-7-1-3-11-27(23)29)19-21-33(40)35(25-15-17-26(39)18-16-25)34-22-20-32(41(34)36)30-14-6-10-24-8-2-4-12-28(24)30/h1-22H
InChIKey SDJXSBQAERLUKD-UHFFFAOYSA-N
Mol Weight 646.3 g/mol
Molecular Formula C35H22BF2IN2
Exact Mass 646.08888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59Zm2kD4xjx
Name 4,4-Difluoro-8-(4'-iodophenyl)-1,7-bis-(1'-naphthyl)-4-bora-3A,4A-diaza-S-indancene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.088880212 u
Formula C35H22BF2IN2
InChI InChI=1S/C35H22BF2IN2/c37-36(38)40-31(29-13-5-9-23-7-1-3-11-27(23)29)19-21-33(40)35(25-15-17-26(39)18-16-25)34-22-20-32(41(34)36)30-14-6-10-24-8-2-4-12-28(24)30/h1-22H
InChIKey SDJXSBQAERLUKD-UHFFFAOYSA-N
Molecular Weight 646.286 g/mol
SMILES C1=2[N]([B](N3C(=CC=C3C2C2=CC=C(C=C2)I)C2=CC=CC=3C=CC=CC23)(F)F)=C(C=C1)C1=CC=CC=2C=CC=CC12