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4,4-DIFLUORO-8-(METHYLPYRIDIUM-4'-ETHYNYLPHENYL)-1,3,5,7-TETRAMETHYL-2,6-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE-IODIDE
SpectraBase Compound ID Ks8l1dfxJiK
InChI InChI=1S/C31H33BF2N3.HI/c1-8-27-20(3)30-29(26-14-12-24(13-15-26)10-11-25-16-18-35(7)19-17-25)31-21(4)28(9-2)23(6)37(31)32(33,34)36(30)22(27)5;/h12-19H,8-9H2,1-7H3;1H/q+1;/p-1
InChIKey WNWQAKGHNMTASH-UHFFFAOYSA-M
Mol Weight 623.3 g/mol
Molecular Formula C31H33BF2IN3
Exact Mass 623.17803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7d4j3DDey9m
Name 4,4-DIFLUORO-8-(METHYLPYRIDIUM-4'-ETHYNYLPHENYL)-1,3,5,7-TETRAMETHYL-2,6-DIETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE-IODIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33BF2IN3
InChI InChI=1S/C31H33BF2N3.HI/c1-8-27-20(3)30-29(26-14-12-24(13-15-26)10-11-25-16-18-35(7)19-17-25)31-21(4)28(9-2)23(6)37(31)32(33,34)36(30)22(27)5;/h12-19H,8-9H2,1-7H3;1H/q+1;/p-1
InChIKey WNWQAKGHNMTASH-UHFFFAOYSA-M
Literature Reference Author G.ULRICH,R.ZIESSEL
Literature Reference Citation J.ORG.CHEM.,69,2070(2004)
Literature Reference DOI 10.1021/jo035825g
Molecular Weight 623.334 g/mol
Solvent CDCl3
Source File Reference UWVN21954