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{[tetrakis(2,2,6,6-Tetramethylheptan-3,5-dione)-di(ethanol)]-dicalcium}
SpectraBase Compound ID 9eJre4IQO3y
InChI InChI=1S/4C11H20O2.2C2H6O.2Ca/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-2-3;;/h4*7,12H,1-6H3;2*3H,2H2,1H3;;/q;;;;;;2*+2/p-4/b4*8-7-;;;;
InChIKey DXKVPXBBHIOKRV-OXSRBUJQSA-J
Mol Weight 905.38 g/mol
Molecular Formula C48H88Ca2O10
Exact Mass 904.562931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtfDmIvJ0xf
Name {[tetrakis(2,2,6,6-Tetramethylheptan-3,5-dione)-di(ethanol)]-dicalcium}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H88Ca2O10
InChI InChI=1S/4C11H20O2.2C2H6O.2Ca/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-2-3;;/h4*7,12H,1-6H3;2*3H,2H2,1H3;;/q;;;;;;2*+2/p-4/b4*8-7-;;;;
InChIKey DXKVPXBBHIOKRV-OXSRBUJQSA-J
Molecular Weight 905.379 g/mol
SMILES OCC.C(\C(=C\C(C(C)(C)C)=O)O[Ca]O\C(=C/C(C(C)(C)C)=O)C(C)(C)C)(C)(C)C.C(\C(=C\C(C(C)(C)C)=O)O[Ca]O\C(=C/C(C(C)(C)C)=O)C(C)(C)C)(C)(C)C.OCC
SPLASH splash10-0a6r-0030906000-5ce5ba4292257a2e195f
Source of Spectrum KA-0-2435-0
Synonyms N-acetyl-N'-[2-(benzylsulfanyl)benzyl]ethane-1,2-diamine
Wiley ID 1418045