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5-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID J7PSAzZX8mk
InChI InChI=1S/C24H26N2O5S/c1-24(2,3)16-6-8-17(9-7-16)30-11-12-31-19-10-5-15(14-20(19)29-4)13-18-21(27)25-23(32)26-22(18)28/h5-10,13-14H,11-12H2,1-4H3,(H2,25,26,27,28,32)
InChIKey DACLMFKFCGEXJG-UHFFFAOYSA-N
Mol Weight 454.54 g/mol
Molecular Formula C24H26N2O5S
Exact Mass 454.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is479MKCCYg
Name 5-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O5S
InChI InChI=1S/C24H26N2O5S/c1-24(2,3)16-6-8-17(9-7-16)30-11-12-31-19-10-5-15(14-20(19)29-4)13-18-21(27)25-23(32)26-22(18)28/h5-10,13-14H,11-12H2,1-4H3,(H2,25,26,27,28,32)
InChIKey DACLMFKFCGEXJG-UHFFFAOYSA-N
Molecular Weight 454.541 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OC)c(cc1)OCCOc1ccc(C(C)(C)C)cc1)=O)=S
SPLASH splash10-0006-9700000000-298dad1d1163518194c0
Synonyms 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxy-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1448224