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(.eta.5-Cyclopentadienyl)dicarbonyl[1,2,3-.eta.)-2-methyl-3-(phenylthio)butenyl]molybdenum
SpectraBase Compound ID 5l4268hJek4
InChI InChI=1S/C11H13S.C5H5.2CO.Mo/c1-9(2)10(3)12-11-7-5-4-6-8-11;1-2-4-5-3-1;2*1-2;/h4-8H,3H2,1-2H3;1-5H;;;/q;;2*+1;
InChIKey JGBMDGNZIKLRMN-UHFFFAOYSA-N
Mol Weight 394.35 g/mol
Molecular Formula C18H18MoO2S
Exact Mass 396.008155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zABYcTi0Bs
Name (.eta.5-Cyclopentadienyl)dicarbonyl[1,2,3-.eta.)-2-methyl-3-(phenylthio)butenyl]molybdenum
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Formula C18H18MoO2S
InChI InChI=1S/C11H13S.C5H5.2CO.Mo/c1-9(2)10(3)12-11-7-5-4-6-8-11;1-2-4-5-3-1;2*1-2;/h4-8H,3H2,1-2H3;1-5H;;;/q;;2*+1;
InChIKey JGBMDGNZIKLRMN-UHFFFAOYSA-N
Molecular Weight 394.351 g/mol
SMILES C12([Mo](C2)(C1(C)C)(C#[O+])(C#[O+])C1C=CC=C1)Sc1ccccc1
SPLASH splash10-00di-0192000000-4f696836735f0aaa1be5
Source of Spectrum QA-44-472-1
Wiley ID 862664