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bis(Trimethylphosphine)(dicarbonyl)-{.eta(2).-(C,O)-[(E)-4,4-dimethyl-3-oxo-1-phenylpent-1-en-2'-yl]}rhenium
SpectraBase Compound ID se9pl55c5R
InChI InChI=1S/C13H15O.2C3H9P.2CO.Re/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;2*1-4(2)3;2*1-2;/h4-9H,1-3H3;2*1-3H3;;;/q;;;;;-1
InChIKey CNYHMLWYCDUILH-UHFFFAOYSA-N
Mol Weight 581.6 g/mol
Molecular Formula C21H33O3P2Re
Exact Mass 582.146246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GRk8iRdmTv
Name bis(Trimethylphosphine)(dicarbonyl)-{.eta(2).-(C,O)-[(E)-4,4-dimethyl-3-oxo-1-phenylpent-1-en-2'-yl]}rhenium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33O3P2Re
InChI InChI=1S/C13H15O.2C3H9P.2CO.Re/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;2*1-4(2)3;2*1-2;/h4-9H,1-3H3;2*1-3H3;;;/q;;;;;-1
InChIKey CNYHMLWYCDUILH-UHFFFAOYSA-N
Molecular Weight 581.647 g/mol
SMILES c1(\C=C\2[Re+]([O]=C2C(C)(C)C)(C#[O])(C#[O])([P-](C)(C)C)[P-](C)(C)C)ccccc1
SPLASH splash10-0fai-0000190000-5cbeeb60c08d2942d5fe
Source of Spectrum H-75-1311-2
Synonyms [(3E)-4-tert-butyl-2,2-bis(hydroxymethyl)-3-(phenylmethylidene)-2-(trimethylphosphanuidyl)-1-oxa-2-rhenacyclobut-1(4)-en-2-ylium-2-yl]trimethylphosphanuide
Wiley ID 1408610