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(5E)-1-allyl-5-(4-bromobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 8h7jgzF27Ki
InChI InChI=1S/C14H11BrN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/b11-8+
InChIKey YNDRQSJWJKTOFC-DHZHZOJOSA-N
Mol Weight 351.22 g/mol
Molecular Formula C14H11BrN2O2S
Exact Mass 349.972462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FG2BO7q9PAH
Name (5E)-1-allyl-5-(4-bromobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11BrN2O2S
InChI InChI=1S/C14H11BrN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/b11-8+
InChIKey YNDRQSJWJKTOFC-DHZHZOJOSA-N
Molecular Weight 351.218 g/mol
SMILES N1C(N(C(\C(C1=O)=C/c1ccc(Br)cc1)=O)CC=C)=S
SPLASH splash10-0f80-4946000000-68c1c876a152605707dc
Synonyms (5E)-1-allyl-5-[(4-bromophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(4-bromophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1451737