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(5S)-Dicarbonyl[5-ethoxy-3-methyl-1,5-diphenyl-2-thiaoxo-4-imidazolidinylidene](methylcyclopentadienyl)manganese
SpectraBase Compound ID 3154dGrFJ5l
InChI InChI=1S/C18H18N2OS.C6H7.2CO.Mn/c1-3-21-18(15-10-6-4-7-11-15)14-19(2)17(22)20(18)16-12-8-5-9-13-16;1-6-4-2-3-5-6;2*1-2;/h4-13H,3H2,1-2H3;2-5H,1H3;;;/q;-1;;;+1/t18-;;;;/m1..../s1
InChIKey KNONWVWXSGBDFB-HHVPYRKWSA-N
Mol Weight 501.5 g/mol
Molecular Formula C26H26MnN2O3S
Exact Mass 501.104457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDPV8n7kK97
Name (5S)-Dicarbonyl[5-ethoxy-3-methyl-1,5-diphenyl-2-thiaoxo-4-imidazolidinylidene](methylcyclopentadienyl)manganese
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25MnN2O3S
InChI InChI=1S/C18H18N2OS.C6H7.2CO.Mn/c1-3-21-18(15-10-6-4-7-11-15)14-19(2)17(22)20(18)16-12-8-5-9-13-16;1-6-4-2-3-5-6;2*1-2;/h4-13H,3H2,1-2H3;2-5H,1H3;;;/q;-1;;;+1/t18-;;;;/m1..../s1
InChIKey KNONWVWXSGBDFB-HHVPYRKWSA-N
Literature Reference DOI 10.1002/cber.19891220113
Molecular Weight 501.503 g/mol
SMILES [c-]1(cccc1)C.[Mn+].[O+]#[C-].[C-]#[O+].[CH]1N(C(N([C@@]1(c1ccccc1)OCC)c1ccccc1)=S)C
SPLASH splash10-0a5c-9622600000-4c6cf38384b9dbc17b48
Source of Spectrum K-122-80-5f
Wiley ID 1792056