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(E)-7-Methyl-4-oxo-5-octenal
SpectraBase Compound ID K54q72NMXJe
InChI InChI=1S/C9H14O2/c1-8(2)5-6-9(11)4-3-7-10/h5-8H,3-4H2,1-2H3/b6-5+
InChIKey GPFGPPUCFMTYSI-AATRIKPKSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID rJfY2w3jYQ
Name (E)-7-Methyl-4-oxo-5-octenal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 154.099379689 u
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-8(2)5-6-9(11)4-3-7-10/h5-8H,3-4H2,1-2H3/b6-5+
InChIKey GPFGPPUCFMTYSI-AATRIKPKSA-N
Molecular Weight 154.209 g/mol
SMILES C(\C=C\C(=O)CCC=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896209