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Ethyl (4E)-2-acetyl-2,3-dimethyl-4-hexenoate
SpectraBase Compound ID H8OkoVFvVUi
InChI InChI=1S/C12H20O3/c1-6-8-9(3)12(5,10(4)13)11(14)15-7-2/h6,8-9H,7H2,1-5H3/b8-6+
InChIKey LDJNDZMVJXBTAP-SOFGYWHQSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxA2FYg5qfy
Name 4-HEXENOIC ACID, 2-ACETYL-2,3-DIMETHYL-, ETHYL ESTER, trans- (DIASTEREOMERES 1)
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-6-8-9(3)12(5,10(4)13)11(14)15-7-2/h6,8-9H,7H2,1-5H3/b8-6+
InChIKey LDJNDZMVJXBTAP-SOFGYWHQSA-N
Molecular Weight 212.1407
SMILES C\C=C\C(C)C(C)(C(OCC)=O)C(=O)C
SPLASH splash10-0006-9100000000-cb0241ebb8b625980b7d
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