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(E)-Ethyl 6-(3-oxocyclohexyl)-2-hexenoate

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

(E)-Ethyl 6-(3-oxocyclohexyl)-2-hexenoate
SpectraBase Compound ID CYbYHDy91i7
InChI InChI=1S/C14H22O3/c1-2-17-14(16)10-5-3-4-7-12-8-6-9-13(15)11-12/h5,10,12H,2-4,6-9,11H2,1H3/b10-5+
InChIKey WFTRRZDRIFITTK-BJMVGYQFSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5WKfykz0bYq
Name (E)-Ethyl 6-(3-oxocyclohexyl)-2-hexenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.156894565 u
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-2-17-14(16)10-5-3-4-7-12-8-6-9-13(15)11-12/h5,10,12H,2-4,6-9,11H2,1H3/b10-5+
InChIKey WFTRRZDRIFITTK-BJMVGYQFSA-N
Molecular Weight 238.327 g/mol
SMILES C(\C=C\CCCC1CC(CCC1)=O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931189