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Tricarbonylruthenium-[1-(1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)pyrrolidin-1-ium]tetrafluoroborate
SpectraBase Compound ID JfDt3opix5O
InChI InChI=1S/C25H28N3.3CHO.BF4.Ru/c1-26-17-18-27(2)25-22(20-13-7-4-8-14-20)23(28-15-9-10-16-28)21(24(25)26)19-11-5-3-6-12-19;3*1-2;2-1(3,4)5;/h3-8,11-14H,9-10,15-18H2,1-2H3;3*1H;;
InChIKey NWORFEMELXSAIS-UHFFFAOYSA-N
Mol Weight 642.43 g/mol
Molecular Formula C28H28BF4N3O3Ru
Exact Mass 643.120325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeuUQ9DD6B
Name Tricarbonylruthenium-[1-(1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)pyrrolidin-1-ium]tetrafluoroborate
Appearance Yellow foam
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Exact Mass 643.120324593 u
Formula C28H28BF4N3O3Ru
InChI InChI=1S/C25H28N3.3CHO.BF4.Ru/c1-26-17-18-27(2)25-22(20-13-7-4-8-14-20)23(28-15-9-10-16-28)21(24(25)26)19-11-5-3-6-12-19;3*1-2;2-1(3,4)5;/h3-8,11-14H,9-10,15-18H2,1-2H3;3*1H;;
InChIKey NWORFEMELXSAIS-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 642.426 g/mol
Reported Formula C28H28N3O3RuBF4
SMILES [B](F)(F)(F)F.[Ru].[C]#[O].[C]#[O].[C]#[O].[C]12N(CCN([C]2[C]([C]([C]1C1=CC=CC=C1)N1CCCC1)C1=CC=CC=C1)C)C
SPLASH splash10-01di-0000960000-ccbbf7960112a5f7fb18
Source of Spectrum QE-27-15551-7b (DOI: 10.1002/chem.202102959)
Wiley ID 1904182