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5-Chloro-4,4-difluoro-3-(styryl)-8-(4-tolyl)-4-bora-3a,4a-diaza-s-indacene
SpectraBase Compound ID LL8J7icIgP4
InChI InChI=1S/C24H18BClF2N2/c1-17-7-10-19(11-8-17)24-21-14-13-20(12-9-18-5-3-2-4-6-18)29(21)25(27,28)30-22(24)15-16-23(30)26/h2-16H,1H3/b12-9+
InChIKey OPAIUOAXZSDDGY-FMIVXFBMSA-N
Mol Weight 418.7 g/mol
Molecular Formula C24H18BClF2N2
Exact Mass 418.121963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vJJasRwCIO
Name 5-Chloro-4,4-difluoro-3-(styryl)-8-(4-tolyl)-4-bora-3a,4a-diaza-s-indacene
Alternate Name(s) 4-Chloro-2,2-difluoro-8-(4-methylphenyl)-12-[(E)-2-phenylethenyl]-1,3-diaza-2-boratricyclo[7.3.0.0(3,7)]dodeca-1(12),4,6,8,10-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BClF2N2
InChI InChI=1S/C24H18BClF2N2/c1-17-7-10-19(11-8-17)24-21-14-13-20(12-9-18-5-3-2-4-6-18)29(21)25(27,28)30-22(24)15-16-23(30)26/h2-16H,1H3/b12-9+
InChIKey OPAIUOAXZSDDGY-FMIVXFBMSA-N
Molecular Weight 418.682 g/mol
SMILES c12[n]([B]([N]=3C(=C2c2ccc(cc2)C)C=CC3\C=C\c2ccccc2)(F)F)c(cc1)Cl
SPLASH splash10-014i-0523900000-0ec46a9e4c53c2cea62b
Source of Spectrum K1-0-4662-2
Wiley ID 1589676