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2-(1-phenylselanyloct-1-yn-3-yl)isoindole-1,3-dione
SpectraBase Compound ID A8YAuxta4st
InChI InChI=1S/C22H21NO2Se/c1-2-3-5-10-17(15-16-26-18-11-6-4-7-12-18)23-21(24)19-13-8-9-14-20(19)22(23)25/h4,6-9,11-14,17H,2-3,5,10H2,1H3
InChIKey DNVJUDIBMOQNHM-UHFFFAOYSA-N
Mol Weight 410.39 g/mol
Molecular Formula C22H21NO2Se
Exact Mass 411.073751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7XXBp3HzU1
Name 2-(1-phenylselanyloct-1-yn-3-yl)isoindole-1,3-dione
Alternate Name(s) 2-[1-(2-phenylselanylethynyl)hexyl]isoindoline-1,3-dione 2-[1-(phenylseleno)oct-1-yn-3-yl]isoindole-1,3-dione 2-[1-amyl-3-(phenylseleno)prop-2-ynyl]isoindoline-1,3-quinone
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Formula C22H21NO2Se
InChI InChI=1S/C22H21NO2Se/c1-2-3-5-10-17(15-16-26-18-11-6-4-7-12-18)23-21(24)19-13-8-9-14-20(19)22(23)25/h4,6-9,11-14,17H,2-3,5,10H2,1H3
InChIKey DNVJUDIBMOQNHM-UHFFFAOYSA-N
Molecular Weight 410.387 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C#C[Se]c1ccccc1)CCCCC)=O
SPLASH splash10-0a4i-0090000000-310a1935d8699893f21c
Source of Spectrum K1-2004-3453-2
Wiley ID 1561318