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tert-Butyl (6E)-3,5-dioxo-6-octenoate
SpectraBase Compound ID 37MLKjAoD6
InChI InChI=1S/C12H18O4/c1-5-6-9(13)7-10(14)8-11(15)16-12(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey HSNBRUYPEUWQLH-AATRIKPKSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ar975vOJZwQ
Name tert-Butyl (6E)-3,5-dioxo-6-octenoate
Alternate Name(s) (E)-3,5-dioxo-6-octenoic acid tert-butyl ester tert-Butyl (E)-3,5-dioxooct-6-enoate tert-Butyl (E)-3,5-bis(oxidanylidene)oct-6-enoate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-6-9(13)7-10(14)8-11(15)16-12(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey HSNBRUYPEUWQLH-AATRIKPKSA-N
Molecular Weight 226.272 g/mol
SMILES C(CC(CC(\C=C\C)=O)=O)(OC(C)(C)C)=O
SPLASH splash10-0aor-9700000000-44dd2b70b41e0eae1376
Source of Spectrum AJ-68-356-4
Wiley ID 773026