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(S)-N-(1,4-Dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)-1,4-dimethoxy-1,4-dioxobutan-2-aminium tetrafluoroborate
SpectraBase Compound ID JwDQ4Vl6yYV
InChI InChI=1S/C27H29N3O4.BF4/c1-29-15-16-30(2)26-23(19-13-9-6-10-14-19)24(22(25(26)29)18-11-7-5-8-12-18)28-20(27(32)34-4)17-21(31)33-3;2-1(3,4)5/h5-14,20H,15-17H2,1-4H3;/q;-1/p+1/t20-;/m0./s1
InChIKey SQJOUXRJQCPECL-BDQAORGHSA-O
Mol Weight 547.36 g/mol
Molecular Formula C27H30BF4N3O4
Exact Mass 547.226549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtayEwmxgMx
Name (S)-N-(1,4-Dimethyl-5,7-diphenyl-1,2,3,4-tetrahydro-6H-cyclopenta[b]pyrazin-6-ylidene)-1,4-dimethoxy-1,4-dioxobutan-2-aminium tetrafluoroborate
Appearance Dark blue foam
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Formula C27H30BF4N3O4
InChI InChI=1S/C27H29N3O4.BF4/c1-29-15-16-30(2)26-23(19-13-9-6-10-14-19)24(22(25(26)29)18-11-7-5-8-12-18)28-20(27(32)34-4)17-21(31)33-3;2-1(3,4)5/h5-14,20H,15-17H2,1-4H3;/q;-1/p+1/t20-;/m0./s1
InChIKey SQJOUXRJQCPECL-BDQAORGHSA-O
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 547.358 g/mol
Quality 28
Reported Formula C27H30N3O4BF4
SMILES [B-](F)(F)(F)F.[NH+](=C1C(=C2C(N(CCN2C)C)=C1C1=CC=CC=C1)C1=CC=CC=C1)[C@@](CC(=O)OC)(C(=O)OC)[H]
SPLASH splash10-014s-0329000000-44fb05e261328b864ce4
Source of Spectrum QE-27-SM5-L7l (DOI: 10.1002/chem.202102959)
Wiley ID 1904213