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N,N-Diallyl-5-[4-(methylsulfonyl)phenyl]-3-phenylindolizin-1-amine
SpectraBase Compound ID 8ZeeLcvBs0Y
InChI InChI=1S/C27H26N2O2S/c1-4-18-28(19-5-2)27-20-26(21-10-7-6-8-11-21)29-24(12-9-13-25(27)29)22-14-16-23(17-15-22)32(3,30)31/h4-17,20H,1-2,18-19H2,3H3
InChIKey YCBQJWHKYSYVJD-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C27H26N2O2S
Exact Mass 442.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBMJepCF9a4
Name N,N-Diallyl-5-[4-(methylsulfonyl)phenyl]-3-phenylindolizin-1-amine
Appearance Red solid
Carrier Gas Nitrogen (1 mL/min)
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Exact Mass 442.171499257 u
Formula C27H26N2O2S
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C27H26N2O2S/c1-4-18-28(19-5-2)27-20-26(21-10-7-6-8-11-21)29-24(12-9-13-25(27)29)22-14-16-23(17-15-22)32(3,30)31/h4-17,20H,1-2,18-19H2,3H3
InChIKey YCBQJWHKYSYVJD-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 442.577 g/mol
Quality 148
Reported Formula C27H26N2O2S
SMILES C(CN(C=1C=C(N2C(=CC=CC12)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1)CC=C)=C
SPLASH splash10-0f6x-4000900000-5803f7766f276892a1d9
Source of Spectrum ACI-62-SM10-1u (DOI: 10.1002/anie.202215916)
Thin-Layer Chromatography 0.15 (hexane/EtOAc, 8:2)
Wiley ID 1908335