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2-(2-Oxo-2-(piperidin-1-yl)ethyl)-3a,4,9,9a-tetrahydro-4,9-[1,2]benzeno-1H-benzo[f]isoindole-1,3(2H)-dione
SpectraBase Compound ID BdfG3vgzub3
InChI InChI=1S/C25H24N2O3/c28-19(26-12-6-1-7-13-26)14-27-24(29)22-20-15-8-2-3-9-16(15)21(23(22)25(27)30)18-11-5-4-10-17(18)20/h2-5,8-11,20-23H,1,6-7,12-14H2/t20-,21+,22-,23-/m1/s1
InChIKey UHFYMMXKRQMGCO-KAOXLYBCSA-N
Mol Weight 400.48 g/mol
Molecular Formula C25H24N2O3
Exact Mass 400.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF6bhIWg2W5
Name 2-(2-Oxo-2-(piperidin-1-yl)ethyl)-3a,4,9,9a-tetrahydro-4,9-[1,2]benzeno-1H-benzo[f]isoindole-1,3(2H)-dione
Alternate Name(s) (9s,10s)-13-(2-oxo-2-(piperidin-1-yl)ethyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O3
InChI InChI=1S/C25H24N2O3/c28-19(26-12-6-1-7-13-26)14-27-24(29)22-20-15-8-2-3-9-16(15)21(23(22)25(27)30)18-11-5-4-10-17(18)20/h2-5,8-11,20-23H,1,6-7,12-14H2/t20-,21+,22-,23-/m1/s1
InChIKey UHFYMMXKRQMGCO-KAOXLYBCSA-N
Literature Reference DOI 10.1002/ardp.201100020
Molecular Weight 400.478 g/mol
SMILES [C@]12(c3ccccc3[C@@](c3c1cccc3)([C@@]1([C@@]2(C(N(C1=O)CC(N1CCCCC1)=O)=O)[H])[H])[H])[H]
SPLASH splash10-03ka-9130000000-63a75ccaacc029422af3
Source of Spectrum APC-344-548-26
Wiley ID 1769255