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Bis[(S)-2-methylbutyl] [5-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-oxocyclohexy] Phosphate
SpectraBase Compound ID mMqmAV81qN
InChI InChI=1S/C21H39O6P/c1-7-16(3)14-26-28(23,27-15-17(4)8-2)19-13-20(5,10-9-18(19)22)21(6)24-11-12-25-21/h16-17,19H,7-15H2,1-6H3/t16?,17?,19-,20-,28?/m0/s1
InChIKey IANBRERLSMHYPD-MDFUSHMQSA-N
Mol Weight 418.5 g/mol
Molecular Formula C21H39O6P
Exact Mass 418.248426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3laCBkFnDJp
Name Bis[(S)-2-methylbutyl] [5-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-oxocyclohexy] Phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39O6P
InChI InChI=1S/C21H39O6P/c1-7-16(3)14-26-28(23,27-15-17(4)8-2)19-13-20(5,10-9-18(19)22)21(6)24-11-12-25-21/h16-17,19H,7-15H2,1-6H3/t16?,17?,19-,20-,28?/m0/s1
InChIKey IANBRERLSMHYPD-MDFUSHMQSA-N
Molecular Weight 418.511 g/mol
SMILES [C@@]1(P(OCC(CC)C)(OCC(CC)C)=O)(C[C@](C2(OCCO2)C)(C)CCC1=O)[H]
SPLASH splash10-000i-9210000000-b48e7b7b954919058f7a
Source of Spectrum J-61-4045-24
Synonyms Bis-(S)-2-methyl-butyl-[5(S)-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-oxocyclohexy]Phosphate
Wiley ID 1377110