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Ethyl 3-(2-oxo-5-methylcyclohexyl)propionate

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

Ethyl 3-(2-oxo-5-methylcyclohexyl)propionate
SpectraBase Compound ID L1z2qabW94R
InChI InChI=1S/C12H20O3/c1-3-15-12(14)7-5-10-8-9(2)4-6-11(10)13/h9-10H,3-8H2,1-2H3
InChIKey VRMJROHYJWDDNL-UHFFFAOYSA-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 3anhfWDM43m
Name Ethyl 3-(2-oxo-5-methylcyclohexyl)propionate
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/c1-3-15-12(14)7-5-10-8-9(2)4-6-11(10)13/h9-10H,3-8H2,1-2H3
InChIKey VRMJROHYJWDDNL-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(C(CC(CC1)C)CCC(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969822