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Methyl [8-methyl-2-(4-nitrophenyl)-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl]carbamate
SpectraBase Compound ID DTb8Mw1d3vd
InChI InChI=1S/C15H13N5O6S/c1-8-12-13(22)18(9-3-5-10(6-4-9)20(24)25)15(27)17(12)7-11(21)19(8)16-14(23)26-2/h3-6H,7H2,1-2H3,(H,16,23)
InChIKey FLDFWNQHSOWSLR-UHFFFAOYSA-N
Mol Weight 391.36 g/mol
Molecular Formula C15H13N5O6S
Exact Mass 391.058654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnGm7vyaRg9
Name Methyl [8-methyl-2-(4-nitrophenyl)-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 C15H13N5O6S
InChI InChI=1S/C15H13N5O6S/c1-8-12-13(22)18(9-3-5-10(6-4-9)20(24)25)15(27)17(12)7-11(21)19(8)16-14(23)26-2/h3-6H,7H2,1-2H3,(H,16,23)
InChIKey FLDFWNQHSOWSLR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 391.358 g/mol
SMILES N(C(=O)OC)N1C(=O)CN2C(N(C(C2=C1C)=O)c1ccc(cc1)[N+](=O)[O-])=S
SPLASH splash10-0a4l-0904000000-843b6fc7f0b12fc1f2f3
Source of Spectrum F5-12-4616-5bb
Synonyms Methyl (8-methyl-2-(4-nitrophenyl)-1,6-dioxo-3-thioxo-2,3,5,6-tetrahydroimidazo[1,5-a]pyrazin-7(1H)-yl)carbamate
Wiley ID 1747562