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6,7-Diphenyl-S-methyldibenzo[bd]thiepinium Tetrafluoroborate
SpectraBase Compound ID IGyIN28XOrI
InChI InChI=1S/C27H21S.BF4/c1-28-25-19-11-10-17-23(25)22-16-8-9-18-24(22)26(20-12-4-2-5-13-20)27(28)21-14-6-3-7-15-21;2-1(3,4)5/h2-19H,1H3;/q+1;-1
InChIKey HQYUJISICURXCH-UHFFFAOYSA-N
Mol Weight 464.33 g/mol
Molecular Formula C27H21BF4S
Exact Mass 464.139315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhGFn0WAcCr
Name 6,7-Diphenyl-S-methyldibenzo[bd]thiepinium Tetrafluoroborate
Comments Less than 3 mono-isotopic peaks
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Formula C27H21BF4S
InChI InChI=1S/C27H21S.BF4/c1-28-25-19-11-10-17-23(25)22-16-8-9-18-24(22)26(20-12-4-2-5-13-20)27(28)21-14-6-3-7-15-21;2-1(3,4)5/h2-19H,1H3;/q+1;-1
InChIKey HQYUJISICURXCH-UHFFFAOYSA-N
Molecular Weight 464.329 g/mol
SMILES [B-](F)(F)(F)F.c1([s+](c2c(c3ccccc3c1-c1ccccc1)cccc2)C)-c1ccccc1
SPLASH splash10-03di-0009000000-5bdb485073402fe864c8
Source of Spectrum J-60-1012-8
Synonyms 5-methyl-6,7-diphenylbenzo[d][1]benzothiepin-5-ium;tetrafluoroborate
Wiley ID 1391323