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Methyl 3-{7-formyl-1-[methyl(phenethyl)amino]indolizin-3-yl}benzoate
SpectraBase Compound ID L9tIkakoDjN
InChI InChI=1S/C26H24N2O3/c1-27(13-11-19-7-4-3-5-8-19)24-17-23(28-14-12-20(18-29)15-25(24)28)21-9-6-10-22(16-21)26(30)31-2/h3-10,12,14-18H,11,13H2,1-2H3
InChIKey BBPSRAPFAWGDSC-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C26H24N2O3
Exact Mass 412.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DkDy9Fdj1
Name Methyl 3-{7-formyl-1-[methyl(phenethyl)amino]indolizin-3-yl}benzoate
Appearance Red solid
Carrier Gas Nitrogen (1 mL/min)
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Exact Mass 412.178692638 u
Formula C26H24N2O3
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C26H24N2O3/c1-27(13-11-19-7-4-3-5-8-19)24-17-23(28-14-12-20(18-29)15-25(24)28)21-9-6-10-22(16-21)26(30)31-2/h3-10,12,14-18H,11,13H2,1-2H3
InChIKey BBPSRAPFAWGDSC-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 412.489 g/mol
Quality 125
Reported Formula C26H24N2O3
SMILES COC(C1=CC(=CC=C1)C1=CC(=C2C=C(C=CN12)C=O)N(CCC1=CC=CC=C1)C)=O
SPLASH splash10-00di-2009200000-ab5e138bef3ea5e46746
Source of Spectrum ACI-62-SM25-3r (DOI: 10.1002/anie.202215916)
Thin-Layer Chromatography 0.25 (hexane/EtOAc, 8:2)
Wiley ID 1908352