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6-Ethyl-5,7-dimethylocta-2,5-dien-4-one

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

6-Ethyl-5,7-dimethylocta-2,5-dien-4-one
SpectraBase Compound ID Fe1zYwEzfcn
InChI InChI=1S/C12H20O/c1-6-8-12(13)10(5)11(7-2)9(3)4/h6,8-9H,7H2,1-5H3/b8-6+,11-10+
InChIKey OAIOUVQABBXKGI-UMYLGFLZSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 859KN4Lngzx
Name 6-Ethyl-5,7-dimethylocta-2,5-dien-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-6-8-12(13)10(5)11(7-2)9(3)4/h6,8-9H,7H2,1-5H3/b8-6+,11-10+
InChIKey OAIOUVQABBXKGI-UMYLGFLZSA-N
Molecular Weight 180.291 g/mol
SMILES C(\C(=C\(C(\C=C\C)=O)C)CC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912689