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Tert-Butyl [2-(4-chlorophenyl)-8-methyl-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl]carbamate
SpectraBase Compound ID HotFMDYJoc6
InChI InChI=1S/C18H19ClN4O4S/c1-10-14-15(25)22(12-7-5-11(19)6-8-12)17(28)21(14)9-13(24)23(10)20-16(26)27-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,26)
InChIKey ORXLIPQBYXKCDQ-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C18H19ClN4O4S
Exact Mass 422.081554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G408mNBMtvv
Name Tert-Butyl [2-(4-chlorophenyl)-8-methyl-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl]carbamate
Alternate Name(s) tert-Butyl (2-(4-chlorophenyl)-8-methyl-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19ClN4O4S
InChI InChI=1S/C18H19ClN4O4S/c1-10-14-15(25)22(12-7-5-11(19)6-8-12)17(28)21(14)9-13(24)23(10)20-16(26)27-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,26)
InChIKey ORXLIPQBYXKCDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 422.887 g/mol
SMILES N(N1C(=O)CN2C(N(C(C2=C1C)=O)c1ccc(cc1)Cl)=S)C(=O)OC(C)(C)C
SPLASH splash10-03fr-0901000000-9d6b9530ff62255825b7
Source of Spectrum F5-12-4617-5bg
Wiley ID 1747567