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(5-ethoxy-3-methyl-5-phenyl-2-thioxo-4-thiazolidinylidene)-(methylcyclopentadienyl)dicarbonyl manganese
SpectraBase Compound ID 4OUrBCPThjl
InChI InChI=1S/C12H13NOS2.C6H7.2CO.Mn/c1-3-14-12(9-13(2)11(15)16-12)10-7-5-4-6-8-10;1-6-4-2-3-5-6;2*1-2;/h4-8H,3H2,1-2H3;2,4H,3H2,1H3;;;
InChIKey BXLWJKDEDNPISG-UHFFFAOYSA-N
Mol Weight 441.44 g/mol
Molecular Formula C20H20MnNO3S2
Exact Mass 441.026504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAoPuNAGn8U
Name (5-ethoxy-3-methyl-5-phenyl-2-thioxo-4-thiazolidinylidene)-(methylcyclopentadienyl)dicarbonyl manganese
CAS Registry Number 116928-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20MnNO3S2
InChI InChI=1S/C12H13NOS2.C6H7.2CO.Mn/c1-3-14-12(9-13(2)11(15)16-12)10-7-5-4-6-8-10;1-6-4-2-3-5-6;2*1-2;/h4-8H,3H2,1-2H3;2,4H,3H2,1H3;;;
InChIKey BXLWJKDEDNPISG-UHFFFAOYSA-N
Molecular Weight 441.442 g/mol
SMILES C1(=[Mn](C2=C(C=CC2)C)(C#[O])C#[O])C(SC(N1C)=S)(c1ccccc1)OCC
SPLASH splash10-0a4i-6942000000-709e8660b2faef29c0a7
Source of Spectrum K-122-79-5
Synonyms 4-[bis(hydroxymethyl)(2-methylcyclopenta-1,3-dien-1-yl)manganesylidene]-5-ethoxy-3-methyl-5-phenyl-1,3-thiazolidine-2-thione
Wiley ID 1385013