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2-[3-[(4S)-2-keto-4-phenyl-1,5-diazonan-1-yl]propyl]isoindoline-1,3-quinone
SpectraBase Compound ID 9GGf9kLjP0h
InChI InChI=1S/C24H27N3O3/c28-22-17-21(18-9-2-1-3-10-18)25-13-6-7-14-26(22)15-8-16-27-23(29)19-11-4-5-12-20(19)24(27)30/h1-5,9-12,21,25H,6-8,13-17H2/t21-/m0/s1
InChIKey XMEWSAKBUGPCEK-NRFANRHFSA-N
Mol Weight 405.5 g/mol
Molecular Formula C24H27N3O3
Exact Mass 405.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fh4AAFiDRJM
Name 2-[3-[(4S)-2-keto-4-phenyl-1,5-diazonan-1-yl]propyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[3-[(4S)-2-oxidanylidene-4-phenyl-1,5-diazonan-1-yl]propyl]isoindole-1,3-dione 2-[3-[(4S)-2-oxo-4-phenyl-1,5-diazonan-1-yl]propyl]isoindole-1,3-dione 2-[3-[(4S)-2-oxo-4-phenyl-1,5-diazonan-1-yl]propyl]isoindoline-1,3-dione
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Formula C24H27N3O3
InChI InChI=1S/C24H27N3O3/c28-22-17-21(18-9-2-1-3-10-18)25-13-6-7-14-26(22)15-8-16-27-23(29)19-11-4-5-12-20(19)24(27)30/h1-5,9-12,21,25H,6-8,13-17H2/t21-/m0/s1
InChIKey XMEWSAKBUGPCEK-NRFANRHFSA-N
Molecular Weight 405.498 g/mol
SMILES N1CCCCN(C(C[C@]1(c1ccccc1)[H])=O)CCCN1C(=O)c2c(C1=O)cccc2
SPLASH splash10-0a4i-0932100000-a49cc67b11e0610b5a6b
Source of Spectrum K-2001-2929-15
Wiley ID 1579988