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2-(Oxo-2-(4-phenylpiperazin-1-yl)-ethyl)-3a,4,9,9atetrahydro-4,9-[1,2]benzeno-1H-benzo[f]isoindole-1,3(2H)-dione
SpectraBase Compound ID 7lR0dG6BhDh
InChI InChI=1S/C30H27N3O3/c34-24(32-16-14-31(15-17-32)19-8-2-1-3-9-19)18-33-29(35)27-25-20-10-4-5-11-21(20)26(28(27)30(33)36)23-13-7-6-12-22(23)25/h1-13,25-28H,14-18H2/t25-,26+,27-,28-/m0/s1
InChIKey UHSIDKUVABCLCK-PUHABZHSSA-N
Mol Weight 477.56 g/mol
Molecular Formula C30H27N3O3
Exact Mass 477.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0izPCMwime
Name 2-(Oxo-2-(4-phenylpiperazin-1-yl)-ethyl)-3a,4,9,9atetrahydro-4,9-[1,2]benzeno-1H-benzo[f]isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H27N3O3
InChI InChI=1S/C30H27N3O3/c34-24(32-16-14-31(15-17-32)19-8-2-1-3-9-19)18-33-29(35)27-25-20-10-4-5-11-21(20)26(28(27)30(33)36)23-13-7-6-12-22(23)25/h1-13,25-28H,14-18H2/t25-,26+,27-,28-/m0/s1
InChIKey UHSIDKUVABCLCK-PUHABZHSSA-N
Literature Reference DOI 10.1002/ardp.201100020
Molecular Weight 477.564 g/mol
SMILES [C@]12(c3c([C@]([C@@]4(C(N(C([C@@]24[H])=O)CC(N2CCN(CC2)c2ccccc2)=O)=O)[H])(c2c1cccc2)[H])cccc3)[H]
SPLASH splash10-01t9-9200000000-9f0c5870106f5cbfce7e
Source of Spectrum APC-344-548-17
Synonyms (9s,10s)-13-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Wiley ID 1769254