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(2E,5E)-5,6,7-trimethylnona-2,5-dien-4-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

(2E,5E)-5,6,7-trimethylnona-2,5-dien-4-one
SpectraBase Compound ID IegeOa48hAl
InChI InChI=1S/C12H20O/c1-6-8-12(13)11(5)10(4)9(3)7-2/h6,8-9H,7H2,1-5H3/b8-6+,11-10+
InChIKey GHGSOJCICUDYEJ-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 4RuovTolIPc
Name (2E,5E)-5,6,7-Trimethylnona-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)11(5)10(4)9(3)7-2/h6,8-9H,7H2,1-5H3/b8-6+,11-10+
InChIKey GHGSOJCICUDYEJ-UMYLGFLZSA-N
Molecular Weight 180.291 g/mol
SMILES C(=O)(\C=C\C)\C(=C\(C(CC)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885635