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4,15-diphenyl-1,5,12,16-tetraaza-di(chlorobenzo)[3,4-b,m]docosa-2,4,13,15-tetraenen-11,12-dione
SpectraBase Compound ID Gwv2h04ScyW
InChI InChI=1S/C38H38Cl2N4O2/c39-30-23-31(27-13-5-3-6-14-27)32-26-42-21-12-9-17-35(45)38(46)44-37-29(18-19-33(40)36(37)28-15-7-4-8-16-28)25-41-20-10-1-2-11-22-43-34(32)24-30/h3-8,13-16,18-19,23-26,43H,1-2,9-12,17,20-22H2,(H,44,46)/b41-25+,42-26+
InChIKey DEVSEFNHCUKPGL-RIVOPQIESA-N
Mol Weight 653.7 g/mol
Molecular Formula C38H38Cl2N4O2
Exact Mass 652.237182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBL1ZsDobiE
Name 4,15-diphenyl-1,5,12,16-tetraaza-di(chlorobenzo)[3,4-b,m]docosa-2,4,13,15-tetraenen-11,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38Cl2N4O2
InChI InChI=1S/C38H38Cl2N4O2/c39-30-23-31(27-13-5-3-6-14-27)32-26-42-21-12-9-17-35(45)38(46)44-37-29(18-19-33(40)36(37)28-15-7-4-8-16-28)25-41-20-10-1-2-11-22-43-34(32)24-30/h3-8,13-16,18-19,23-26,43H,1-2,9-12,17,20-22H2,(H,44,46)/b41-25+,42-26+
InChIKey DEVSEFNHCUKPGL-RIVOPQIESA-N
Molecular Weight 653.654 g/mol
SMILES N1C(C(CCCC\N=C\c2c(cc(cc2-c2ccccc2)Cl)NCCCCCC\N=C\c2c1c(c(Cl)cc2)-c1ccccc1)=O)=O
SPLASH splash10-0f6x-0092002000-4fb2e08cbe02a699ea02
Source of Spectrum HC-23-441-0
Synonyms 3,16-dichloro-4,14-diphenyl-5,8,9,10,11,18,19,20,21,22,23,24-dodecahydrodibenzo[b,m][1,5,12,16]tetraazacyclodocosine-6,7-dione
Wiley ID 1413223