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Tricarbonylruthenium-[2-cyano-N-(1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)ethan-1-aminium] tetrafluoroborate
SpectraBase Compound ID 8Fx5yWuCB04
InChI InChI=1S/C24H25N4.3CHO.BF4.Ru/c1-27-16-17-28(2)24-21(19-12-7-4-8-13-19)22(26-15-9-14-25)20(23(24)27)18-10-5-3-6-11-18;3*1-2;2-1(3,4)5;/h3-8,10-13,26H,9,15-17H2,1-2H3;3*1H;;
InChIKey TVQSJLWSLWZWTF-UHFFFAOYSA-N
Mol Weight 641.4 g/mol
Molecular Formula C27H25BF4N4O3Ru
Exact Mass 642.099923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ayPC2pf8Gt
Name Tricarbonylruthenium-[2-cyano-N-(1,4-dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)ethan-1-aminium] tetrafluoroborate
Appearance Yellow foam
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Exact Mass 642.099923500 u
Formula C27H25BF4N4O3Ru
InChI InChI=1S/C24H25N4.3CHO.BF4.Ru/c1-27-16-17-28(2)24-21(19-12-7-4-8-13-19)22(26-15-9-14-25)20(23(24)27)18-10-5-3-6-11-18;3*1-2;2-1(3,4)5;/h3-8,10-13,26H,9,15-17H2,1-2H3;3*1H;;
InChIKey TVQSJLWSLWZWTF-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 641.398 g/mol
Reported Formula C27H25N4O3RuBF4
SMILES N([C]1[C]([C]2[C](N(CCN2C)C)[C]1C1=CC=CC=C1)C1=CC=CC=C1)CCC#N.[Ru].[C]#[O].[C]#[O].[C]#[O].[B](F)(F)(F)F
SPLASH splash10-001i-0009010000-85f41909d09ae985648c
Source of Spectrum QE-27-15551-7e (DOI: 10.1002/chem.202102959)
Wiley ID 1904185