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(5Z)-1-(4-methoxyphenyl)-5-[3-[2-(4-nitrophenoxy)ethoxy]benzylidene]barbituric acid
SpectraBase Compound ID 3vbzse578Te
InChI InChI=1S/C26H21N3O8/c1-35-20-9-5-18(6-10-20)28-25(31)23(24(30)27-26(28)32)16-17-3-2-4-22(15-17)37-14-13-36-21-11-7-19(8-12-21)29(33)34/h2-12,15-16H,13-14H2,1H3,(H,27,30,32)/b23-16-
InChIKey INJOCQGNQIYTPR-KQWNVCNZSA-N
Mol Weight 503.47 g/mol
Molecular Formula C26H21N3O8
Exact Mass 503.132865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUh4lXf9IbD
Name (5Z)-1-(4-methoxyphenyl)-5-[3-[2-(4-nitrophenoxy)ethoxy]benzylidene]barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O8
InChI InChI=1S/C26H21N3O8/c1-35-20-9-5-18(6-10-20)28-25(31)23(24(30)27-26(28)32)16-17-3-2-4-22(15-17)37-14-13-36-21-11-7-19(8-12-21)29(33)34/h2-12,15-16H,13-14H2,1H3,(H,27,30,32)/b23-16-
InChIKey INJOCQGNQIYTPR-KQWNVCNZSA-N
Molecular Weight 503.467 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)OC)=O)=C/c1cc(OCCOc2ccc(N(=O)=O)cc2)ccc1)=O
SPLASH splash10-0002-2900000000-2bdf4253ae5267ee7861
Synonyms (5Z)-1-(4-methoxyphenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-methoxyphenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 1437184