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1-([1,1'-Biphenyl]-4-yl)-5-oxo-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-aminium 2,2,2-trifluoroacetate
SpectraBase Compound ID I5n8Dp8vbgR
InChI InChI=1S/C24H19N3O.C2HF3O2/c25-24-26-22(19-13-11-17(12-14-19)16-7-3-1-4-8-16)23-20(15-21(28)27(23)24)18-9-5-2-6-10-18;3-2(4,5)1(6)7/h1-14,20H,15H2,(H2,25,26);(H,6,7)
InChIKey OMIRZRFHIOYBKJ-UHFFFAOYSA-N
Mol Weight 479.46 g/mol
Molecular Formula C26H20F3N3O3
Exact Mass 479.145676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkUuSGsktzG
Name 1-([1,1'-Biphenyl]-4-yl)-5-oxo-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-aminium 2,2,2-trifluoroacetate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20F3N3O3
InChI InChI=1S/C24H19N3O.C2HF3O2/c25-24-26-22(19-13-11-17(12-14-19)16-7-3-1-4-8-16)23-20(15-21(28)27(23)24)18-9-5-2-6-10-18;3-2(4,5)1(6)7/h1-14,20H,15H2,(H2,25,26);(H,6,7)
InChIKey OMIRZRFHIOYBKJ-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.101
Molecular Weight 479.459 g/mol
SMILES OC(C(F)(F)F)=O.Nc1[n]2c(c(n1)-c1ccc(cc1)-c1ccccc1)C(CC2=O)c1ccccc1
SPLASH splash10-014i-0119000000-b7f34fe7eb1a28350505
Source of Spectrum BJO-15-SM16-9i
Wiley ID 1845858