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N-[1-(3,4-Dichlorophenyl)-4,5-dioxoimidazolidene-2-yl]-N-isopropyl-N-(isobutyloxycarbonyl)-guanidine
SpectraBase Compound ID LgK77f1hBsb
InChI InChI=1S/C18H21Cl2N5O4/c1-9(2)8-29-18(28)24-16(21-10(3)4)23-17-22-14(26)15(27)25(17)11-5-6-12(19)13(20)7-11/h5-7,9-10H,8H2,1-4H3,(H2,21,22,23,24,26,28)
InChIKey AZHOOZDONFZJOG-UHFFFAOYSA-N
Mol Weight 442.3 g/mol
Molecular Formula C18H21Cl2N5O4
Exact Mass 441.09706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY9mccU0NZp
Name N-[1-(3,4-Dichlorophenyl)-4,5-dioxoimidazolidene-2-yl]-N-isopropyl-N-(isobutyloxycarbonyl)-guanidine
Alternate Name(s) N-[[[1-(3,4-dichlorophenyl)-4,5-dioxo-2-imidazolyl]amino]-propan-2-yliminomethyl]carbamic acid 2-methylpropyl ester 2-Methylpropyl N-[N-[1-(3,4-dichlorophenyl)-4,5-dioxoimidazol-2-yl]-N'-propan-2-ylcarbamimidoyl]carbamate isobutyl N-[N-[1-(3,4-dichlorophenyl)-4,5-dioxo-imidazol-2-yl]-N'-isopropyl-carbamimidoyl]carbamate 2-Methylpropyl N-[N-[1-(3,4-dichlorophenyl)-4,5-bis(oxidanylidene)imidazol-2-yl]-N'-propan-2-yl-carbamimidoyl]carbamate
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Formula C18H21Cl2N5O4
InChI InChI=1S/C18H21Cl2N5O4/c1-9(2)8-29-18(28)24-16(21-10(3)4)23-17-22-14(26)15(27)25(17)11-5-6-12(19)13(20)7-11/h5-7,9-10H,8H2,1-4H3,(H2,21,22,23,24,26,28)
InChIKey AZHOOZDONFZJOG-UHFFFAOYSA-N
Molecular Weight 442.303 g/mol
SMILES N(\C(=N/C(=O)OCC(C)C)NC(C)C)C=1N(C(=O)C(N1)=O)c1cc(Cl)c(cc1)Cl
SPLASH splash10-03di-0029300000-be35df103c3c8791dae6
Source of Spectrum AF-48-6479-2b
Wiley ID 1694033