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9-(1,4-Dioxo-1,4-dihydro-naphthalen-2-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1(7,11)]docosa-9,19-diene-8,18,21,22-tetraone

View entire compound with spectra: 1 MS (GC)

9-(1,4-Dioxo-1,4-dihydro-naphthalen-2-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1(7,11)]docosa-9,19-diene-8,18,21,22-tetraone
SpectraBase Compound ID FVxGmY1W8C
InChI InChI=1S/C28H28N4O6/c33-23-17-21(25(35)20-10-4-3-9-19(20)23)22-18-30-13-6-2-7-14-31-24(34)11-16-29(27(31)37)12-5-1-8-15-32(26(22)36)28(30)38/h3-4,9-11,16-18H,1-2,5-8,12-15H2
InChIKey WQWPPDKGEREAOM-UHFFFAOYSA-N
Mol Weight 516.55 g/mol
Molecular Formula C28H28N4O6
Exact Mass 516.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMnurScf2X1
Name 9-(1,4-Dioxo-1,4-dihydro-naphthalen-2-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1(7,11)]docosa-9,19-diene-8,18,21,22-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N4O6
InChI InChI=1S/C28H28N4O6/c33-23-17-21(25(35)20-10-4-3-9-19(20)23)22-18-30-13-6-2-7-14-31-24(34)11-16-29(27(31)37)12-5-1-8-15-32(26(22)36)28(30)38/h3-4,9-11,16-18H,1-2,5-8,12-15H2
InChIKey WQWPPDKGEREAOM-UHFFFAOYSA-N
Molecular Weight 516.554 g/mol
SMILES C=1(C=2C(c3ccccc3C(C2)=O)=O)C(N2CCCCCN3C=CC(N(CCCCCN(C2=O)C1)C3=O)=O)=O
SPLASH splash10-03di-9020010000-16afde956d2ca605d9fb
Source of Spectrum AJ-69-3244-2
Synonyms 9-(1,4-Dihydro-1,4-dioxo-2-naphthyl)-1,7,11,17-tetrazatricyclo[15.3.1.1]docosa-9,19-dien-8,18,21,22-tetrone 9-(1,4-dioxo-1,4-dihydro-2-naphthalenyl)-1,7,11,17-tetraazatricyclo[15.3.1.1(7,11)]docosa-9,19-diene-8,18,21,22-tetrone
Wiley ID 773908