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5-[3-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID JMt2mIZzBPe
InChI InChI=1S/C22H22N2O4S/c1-3-15-9-14(2)10-18(11-15)28-8-7-27-17-6-4-5-16(12-17)13-19-20(25)23-22(29)24-21(19)26/h4-6,9-13H,3,7-8H2,1-2H3,(H2,23,24,25,26,29)
InChIKey XSVLPLHSQFHPKE-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ga1iqXxf2EU
Name 5-[3-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-[2-(3-ethyl-5-methyl-phenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-3-15-9-14(2)10-18(11-15)28-8-7-27-17-6-4-5-16(12-17)13-19-20(25)23-22(29)24-21(19)26/h4-6,9-13H,3,7-8H2,1-2H3,(H2,23,24,25,26,29)
InChIKey XSVLPLHSQFHPKE-UHFFFAOYSA-N
Molecular Weight 410.488 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCCOc2cc(C)cc(c2)CC)ccc1)=O)=S
SPLASH splash10-03di-1700900000-1267085c694e840d5301
Wiley ID 1436563