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1-(Ethoxycarbonyl)-2-(isobutanoyl)ethylene
SpectraBase Compound ID 2RsrPMbsMxd
InChI InChI=1S/C9H14O3/c1-4-12-9(11)6-5-8(10)7(2)3/h5-7H,4H2,1-3H3/b6-5+
InChIKey CFAKEPZBITYXHS-AATRIKPKSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lmj5Hww9h8T
Name 1-(Ethoxycarbonyl)-2-(isobutanoyl)ethylene
Alternate Name(s) Ethyl (2E)-5-methyl-4-oxo-2-hexenoate (E)-5-methyl-4-oxo-2-hexenoic acid ethyl ester Ethyl (E)-5-methyl-4-oxohex-2-enoate Ethyl (E)-5-methyl-4-oxo-hex-2-enoate Ethyl (E)-5-methyl-4-oxidanylidene-hex-2-enoate
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-4-12-9(11)6-5-8(10)7(2)3/h5-7H,4H2,1-3H3/b6-5+
InChIKey CFAKEPZBITYXHS-AATRIKPKSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C=C\C(=O)OCC)(C(C)C)=O
SPLASH splash10-004j-9700000000-7509a44e64b862b90045
Source of Spectrum K1-2000-2800-21
Wiley ID 749978