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4-Octen-3-one, 7-(acetyloxy)-6-ethyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Octen-3-one, 7-(acetyloxy)-6-ethyl-
SpectraBase Compound ID GyEfna4LkS9
InChI InChI=1S/C12H20O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+
InChIKey VSXAXOIIDVPTME-BQYQJAHWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 47fzRkIO1T6
Name 4-Octen-3-one, 7-(acetyloxy)-6-ethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+
InChIKey VSXAXOIIDVPTME-BQYQJAHWSA-N
Molecular Weight 212.289 g/mol
SMILES C(\C=C\C(C(OC(=O)C)C)CC)(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871708