bis[2',4'-Dioxo-6'-methyl-1',2',3',4'-tetrahydro-3'-(.omega.-chlorohexyl)pyrimidin-1'-yl]-methane

SpectraBase Compound ID	1DoNEmkfNEE
InChI	InChI=1S/C23H34Cl2N4O4/c1-18-15-20(30)26(13-9-5-3-7-11-24)22(32)28(18)17-29-19(2)16-21(31)27(23(29)33)14-10-6-4-8-12-25/h15-16H,3-14,17H2,1-2H3
InChIKey	QWJFTJAPXYKRFX-UHFFFAOYSA-N Google Search
Mol Weight	501.5 g/mol
Molecular Formula	C23H34Cl2N4O4
Exact Mass	500.195711 g/mol

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SpectraBase Spectrum ID	7ihvXYaYxMm
Name	bis[2',4'-Dioxo-6'-methyl-1',2',3',4'-tetrahydro-3'-(.omega.-chlorohexyl)pyrimidin-1'-yl]-methane
Alternate Name(s)	3-(6-chlorohexyl)-1-[(3-(6-chlorohexyl)-6-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H34Cl2N4O4
InChI	InChI=1S/C23H34Cl2N4O4/c1-18-15-20(30)26(13-9-5-3-7-11-24)22(32)28(18)17-29-19(2)16-21(31)27(23(29)33)14-10-6-4-8-12-25/h15-16H,3-14,17H2,1-2H3
InChIKey	QWJFTJAPXYKRFX-UHFFFAOYSA-N
Molecular Weight	501.455 g/mol
SMILES	C1(N(C(=CC(N1CCCCCCCl)=O)C)CN1C(N(CCCCCCCl)C(C=C1C)=O)=O)=O
SPLASH	splash10-0udi-0000090000-19844b0ac8aa7955d9c4
Source of Spectrum	F9-1995-340-10
Wiley ID	1566976