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Bis[(S)-2-methylbutyl] 4-Methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexenyl Phosphate
SpectraBase Compound ID AK9pdFAFg2i
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?/m0/s1
InChIKey IANBRERLSMHYPD-BEEJXANESA-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 39RhF3pph6L
Name Bis[(S)-2-methylbutyl] 4-Methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexenyl Phosphate
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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?/m0/s1
InChIKey IANBRERLSMHYPD-BEEJXANESA-N
Molecular Weight 418.511 g/mol
SMILES C1(P(OC[C@](CC)(C)[H])(OC[C@](CC)(C)[H])=O)CC(C2(OCCO2)C)(C)CCC1=O
SPLASH splash10-000i-9100000000-380cfbe95e7455036b82
Source of Spectrum J-61-4045-23
Synonyms bis(2-methylbutyl) (4S)-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl phosphate [5-Methyl-5-(2-methyl-[1,3]dioxolan-2-yl)-2-oxo-cyclohexyl]-phosphonic acid bis-((S)-2-methyl-butyl) ester 2-bis[(2S)-2-methylbutoxy]phosphoryl-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexanone 2-bis[(2S)-2-methylbutoxy]phosphoryl-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-one
Wiley ID 1377111