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ETHYL-5-ETHYL-5-HYDROXY-3,6-DIOXOOCTANOATE
SpectraBase Compound ID fnrLsKgvlc
InChI InChI=1S/C12H20O5/c1-4-10(14)12(16,5-2)8-9(13)7-11(15)17-6-3/h16H,4-8H2,1-3H3
InChIKey IEBGUSZSTGALLG-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgispM66kKE
Name 5-Ethyl-5-hydroxy-3,6-diketo-caprylic acid ethyl ester
Alternate Name(s) 5-Ethyl-5-hydroxy-3,6-dioxooctanoic acid ethyl ester Ethyl 5-ethyl-5-hydroxy-3,6-dioxo-octanoate Ethyl 5-ethyl-5-oxidanyl-3,6-bis(oxidanylidene)octanoate
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Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-4-10(14)12(16,5-2)8-9(13)7-11(15)17-6-3/h16H,4-8H2,1-3H3
InChIKey IEBGUSZSTGALLG-UHFFFAOYSA-N
Molecular Weight 244.287 g/mol
SMILES OC(CC(CC(=O)OCC)=O)(C(CC)=O)CC
SPLASH splash10-0a4l-9700000000-fba62e52cfa35a97bd8d
Source of Spectrum H-2005-539-8
Wiley ID 1562205