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1-[Methyl(phenethyl)amino]-3-[3-(trifluoromethyl)phenyl]indolizine-7-carbaldehyde
SpectraBase Compound ID Ep1vcPKRfub
InChI InChI=1S/C25H21F3N2O/c1-29(12-10-18-6-3-2-4-7-18)23-16-22(30-13-11-19(17-31)14-24(23)30)20-8-5-9-21(15-20)25(26,27)28/h2-9,11,13-17H,10,12H2,1H3
InChIKey LCCQSNNNLGXMTK-UHFFFAOYSA-N
Mol Weight 422.45 g/mol
Molecular Formula C25H21F3N2O
Exact Mass 422.160598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68clRdySj8c
Name 1-[Methyl(phenethyl)amino]-3-[3-(trifluoromethyl)phenyl]indolizine-7-carbaldehyde
Appearance Red oil
Carrier Gas Nitrogen (1 mL/min)
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Exact Mass 422.160597792 u
Formula C25H21F3N2O
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C25H21F3N2O/c1-29(12-10-18-6-3-2-4-7-18)23-16-22(30-13-11-19(17-31)14-24(23)30)20-8-5-9-21(15-20)25(26,27)28/h2-9,11,13-17H,10,12H2,1H3
InChIKey LCCQSNNNLGXMTK-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 422.451 g/mol
Quality 159
Reported Formula C25H21F3N2O
SMILES CN(CCC1=CC=CC=C1)C=1C=C(N2C=CC(=CC12)C=O)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-008c-4009100000-3d8dd750ee2a6b31eb59
Source of Spectrum ACI-62-SM24-3q (DOI: 10.1002/anie.202215916)
Thin-Layer Chromatography 0.33 (hexane/EtOAc, 8:2)
Wiley ID 1908351