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Cobalt, hexacarbonyl[.mu.-[2-[(2,3-.eta.:2,3-.eta.)-1-methoxy-3-phenyl-2-propynyl]cyclohexanone]]di-, (Co-Co), stereoisomer
SpectraBase Compound ID 2FSuDLjTUvt
InChI InChI=1S/C16H18O2.6CO.2Co/c1-18-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13;6*1-2;;/h2-4,7-8,14,16H,5-6,9-10H2,1H3;;;;;;;;
InChIKey CRKVBZGVVCYEGN-UHFFFAOYSA-N
Mol Weight 528.24 g/mol
Molecular Formula C22H18Co2O8
Exact Mass 527.966556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU5wmPPfBTr
Name Cobalt, hexacarbonyl[.mu.-[2-[(2,3-.eta.:2,3-.eta.)-1-methoxy-3-phenyl-2-propynyl]cyclohexanone]]di-, (Co-Co), stereoisomer
CAS Registry Number 124151-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Co2O8
InChI InChI=1S/C16H18O2.6CO.2Co/c1-18-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13;6*1-2;;/h2-4,7-8,14,16H,5-6,9-10H2,1H3;;;;;;;;
InChIKey CRKVBZGVVCYEGN-UHFFFAOYSA-N
Molecular Weight 528.244 g/mol
SMILES [C@]12([Co](C#[O])(C#[O])(C#[O])[C@@]2(c2ccccc2)[Co]1(C#[O])(C#[O])C#[O])C(C1C(=O)CCCC1)OC
SPLASH splash10-00ku-0008910000-24d7c064dc40cda76e30
Source of Spectrum J-55-191-18
Synonyms 2,1'-anti-hexacarbonyl{.mu.-.eta.(4)-[2-methoxy-3-phenyl-2-propyn-1-yl)cyclohexan-1-one]}dicobalt(co-co-) 2,1'-syn-hexacarbonyl{.mu.-.eta.(4)-[2-(1-methoxy-3-phenyl-2-propyn-1-yl)cyclohexan-1-one]}dicobalt Cyclohexanone, 2-(1-methoxy-3-phenyl-2-propynyl)-, cobalt complex, (R*,S*)-
Wiley ID 1403010