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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 AwrjCsGU6ed
InChI InChI=1S/C24H24N4.BF4/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;2-1(3,4)5/h3-8,10-13H,9,15-17H2,1-2H3;/q;-1/p+1
InChIKey MTNHHSIKXCUUPI-UHFFFAOYSA-O
Mol Weight 456.3 g/mol
Molecular Formula C24H25BF4N4
Exact Mass 456.21084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCqtJPnLTGM
Name 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 Dark blue foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BF4N4
InChI InChI=1S/C24H24N4.BF4/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;2-1(3,4)5/h3-8,10-13H,9,15-17H2,1-2H3;/q;-1/p+1
InChIKey MTNHHSIKXCUUPI-UHFFFAOYSA-O
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 456.296 g/mol
Quality 81
Reported Formula C24H25N4BF4
SMILES [NH+](=C1C(=C2C(N(CCN2C)C)=C1C1=CC=CC=C1)C1=CC=CC=C1)CCC#N.[B-](F)(F)(F)F
SPLASH splash10-0fbd-0930000000-84c57735a4aec90a7b19
Source of Spectrum QE-27-SM2-L7e (DOI: 10.1002/chem.202102959)
Wiley ID 1904208