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(9s,10s)-13-((5-bromopentyl)oxy)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
SpectraBase Compound ID AvvoKpekVDp
InChI InChI=1S/C23H22BrNO3/c24-12-6-1-7-13-28-25-22(26)20-18-14-8-2-3-9-15(14)19(21(20)23(25)27)17-11-5-4-10-16(17)18/h2-5,8-11,18-21H,1,6-7,12-13H2/t18-,19+,20-,21-/m1/s1
InChIKey VRVKATOXBMWAIX-PLACYPQZSA-N
Mol Weight 440.34 g/mol
Molecular Formula C23H22BrNO3
Exact Mass 439.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcZbUqZ9Md6
Name (9s,10s)-13-((5-bromopentyl)oxy)-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 C23H22BrNO3
InChI InChI=1S/C23H22BrNO3/c24-12-6-1-7-13-28-25-22(26)20-18-14-8-2-3-9-15(14)19(21(20)23(25)27)17-11-5-4-10-16(17)18/h2-5,8-11,18-21H,1,6-7,12-13H2/t18-,19+,20-,21-/m1/s1
InChIKey VRVKATOXBMWAIX-PLACYPQZSA-N
Literature Reference DOI 10.1002/ardp.201100020
Molecular Weight 440.337 g/mol
SMILES [C@]12([C@@]3([C@@]([C@@](c4c1cccc4)(c1ccccc21)[H])(C(N(C3=O)OCCCCCBr)=O)[H])[H])[H]
SPLASH splash10-004i-9010000000-97ecd05a6dee4507fe91
Source of Spectrum APC-344-548-7
Wiley ID 1769258