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4,6(1H,5H)-pyrimidinedione, dihydro-5-octadecyl-2-thioxo-
SpectraBase Compound ID EBz02e9V5l0
InChI InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)23-22(27)24-21(19)26/h19H,2-18H2,1H3,(H2,23,24,25,26,27)
InChIKey JCGYZANVRACSRZ-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C22H40N2O2S
Exact Mass 396.28105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJfgOjE03Su
Name 4,6(1H,5H)-pyrimidinedione, dihydro-5-octadecyl-2-thioxo-
Alternate Name(s) 5-Octadecyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 5-Octadecyl-2-thioxo-hexahydropyrimidine-4,6-dione 5-Octadecyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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Formula C22H40N2O2S
InChI InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)23-22(27)24-21(19)26/h19H,2-18H2,1H3,(H2,23,24,25,26,27)
InChIKey JCGYZANVRACSRZ-UHFFFAOYSA-N
Molecular Weight 396.634 g/mol
SMILES N1C(=S)NC(C(CCCCCCCCCCCCCCCCCC)C1=O)=O
SPLASH splash10-0a4l-9601000000-9e781ef18c808d0f85ae
Source of Spectrum JX-2015-3-1958
Wiley ID 1725417