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3-Ethoxy-5-methyl-cyclohex-2-en-1-one
SpectraBase Compound ID NHqOpp7H6l
InChI InChI=1S/C9H14O2/c1-3-11-9-5-7(2)4-8(10)6-9/h6-7H,3-5H2,1-2H3
InChIKey XCDJARVNEKGTFS-UHFFFAOYSA-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 FqaThENSkIg
Name 3-Ethoxy-5-methylcyclohex-2-en-1-one
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/c1-3-11-9-5-7(2)4-8(10)6-9/h6-7H,3-5H2,1-2H3
InChIKey XCDJARVNEKGTFS-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES C1(=O)C=C(CC(C1)C)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914377