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1-(Piperidin-1-yl)-3-(p-tolyl)indolizine-7-carbaldehyde
SpectraBase Compound ID LvjCLLOZVwR
InChI InChI=1S/C21H22N2O/c1-16-5-7-18(8-6-16)19-14-20(22-10-3-2-4-11-22)21-13-17(15-24)9-12-23(19)21/h5-9,12-15H,2-4,10-11H2,1H3
InChIKey KZNDPTMSBVWBHR-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52bWAqaAtry
Name 1-(Piperidin-1-yl)-3-(p-tolyl)indolizine-7-carbaldehyde
Appearance Red oil
Carrier Gas Nitrogen (1 mL/min)
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Exact Mass 318.173213335 u
Formula C21H22N2O
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C21H22N2O/c1-16-5-7-18(8-6-16)19-14-20(22-10-3-2-4-11-22)21-13-17(15-24)9-12-23(19)21/h5-9,12-15H,2-4,10-11H2,1H3
InChIKey KZNDPTMSBVWBHR-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 318.420 g/mol
Reported Formula C21H22N2O
SMILES C1N(CCCC1)C=1C=C(N2C=CC(=CC12)C=O)C1=CC=C(C=C1)C
SPLASH splash10-014i-0019000000-edd001ed8a3c21a0154a
Source of Spectrum ACI-62-SM20-3i (DOI: 10.1002/anie.202215916)
Thin-Layer Chromatography 0.45 (hexane/EtOAc, 8:2)
Wiley ID 1908344