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Benzeneacetaldehyde, .alpha.-hydroxy-, rhenium complex
SpectraBase Compound ID IEyHB9WMhYR
InChI InChI=1S/C8H7O2.5CO.Re/c9-6-5-7-3-1-2-4-8(7)10;5*1-2;/h1-4,10H,5H2;;;;;;
InChIKey JGWQTHXUYCIDFB-UHFFFAOYSA-N
Mol Weight 461.4 g/mol
Molecular Formula C13H7O7Re
Exact Mass 461.97493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AYUifPxTxQ
Name Benzeneacetaldehyde, .alpha.-hydroxy-, rhenium complex
Alternate Name(s) Rhenium, pentacarbonyl(hydroxyphenylacetyl)-, (OC-6-21)- Rhenium(VI)pentacarbonyl(glyoxylylhexadiyne)
CAS Registry Number 100448-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7O7Re
InChI InChI=1S/C8H7O2.5CO.Re/c9-6-5-7-3-1-2-4-8(7)10;5*1-2;/h1-4,10H,5H2;;;;;;
InChIKey JGWQTHXUYCIDFB-UHFFFAOYSA-N
Molecular Weight 461.399 g/mol
SMILES Oc1c(CC([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])=O)cccc1
SPLASH splash10-0a4i-0901000000-740b66529e7040b405c8
Source of Spectrum C-108-1461-12
Wiley ID 1390875