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1-Isopentyl 3-methyl 2-(propionyloxy)malonate
SpectraBase Compound ID JDpWC6zQ8B9
InChI InChI=1S/C12H20O6/c1-5-9(13)18-10(11(14)16-4)12(15)17-7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey NABHZPLMERPLQC-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C12H20O6
Exact Mass 260.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hzLiGFnVWR
Name 1-Isopentyl 3-methyl 2-(propionyloxy)malonate
Alternate Name(s) 1-O-methyl 3-O-(3-methylbutyl) 2-propanoyloxypropanedioate 2-(1-oxopropoxy)propanedioic acid O1-methyl ester O3-(3-methylbutyl) ester 2-Propionyloxymalonic acid O1-isoamyl ester O3-methyl ester Malonic acid, 2-(propionyloxy)-, 3-methyl-1-isopentyl ester O1-isopentyl O3-methyl 2-propanoyloxypropanedioate O1-methyl O3-(3-methylbutyl) 2-propanoyloxypropanedioate
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Formula C12H20O6
InChI InChI=1S/C12H20O6/c1-5-9(13)18-10(11(14)16-4)12(15)17-7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey NABHZPLMERPLQC-UHFFFAOYSA-N
Molecular Weight 260.286 g/mol
SMILES CCC(OC(C(OCCC(C)C)=O)C(OC)=O)=O
SPLASH splash10-0a4i-9000000000-fa9950167e38deb69025
Wiley ID 1477332