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N,N-Diallyl-7-[(dimethylamino)methyl]-5-[4-(methylsulfonyl)phenyl]-3-phenylindolizin-1-amine
SpectraBase Compound ID F4cL7GHSUS7
InChI InChI=1S/C30H33N3O2S/c1-6-17-32(18-7-2)29-21-28(24-11-9-8-10-12-24)33-27(19-23(20-30(29)33)22-31(3)4)25-13-15-26(16-14-25)36(5,34)35/h6-16,19-21H,1-2,17-18,22H2,3-5H3
InChIKey SLBUGKDTPUGSMI-UHFFFAOYSA-N
Mol Weight 499.7 g/mol
Molecular Formula C30H33N3O2S
Exact Mass 499.229348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pb2CVcStAu
Name N,N-Diallyl-7-[(dimethylamino)methyl]-5-[4-(methylsulfonyl)phenyl]-3-phenylindolizin-1-amine
Appearance Red solid
Carrier Gas Nitrogen (1 mL/min)
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Exact Mass 499.229348487 u
Formula C30H33N3O2S
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C30H33N3O2S/c1-6-17-32(18-7-2)29-21-28(24-11-9-8-10-12-24)33-27(19-23(20-30(29)33)22-31(3)4)25-13-15-26(16-14-25)36(5,34)35/h6-16,19-21H,1-2,17-18,22H2,3-5H3
InChIKey SLBUGKDTPUGSMI-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 499.673 g/mol
Quality 89
Reported Formula C30H33N3O2S
SMILES C(CN(C=1C=C(N2C(=CC(=CC12)CN(C)C)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1)CC=C)=C
SPLASH splash10-0006-9000000000-ded28bf0ea8b47070148
Source of Spectrum ACI-62-SM26-4 (DOI: 10.1002/anie.202215916)
Thin-Layer Chromatography 0.3 (EtOAc/MeOH, 8:2)
Wiley ID 1908354