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4,4-Ethylendioxy-1-(5-oxohexanoyl)cyclohexene

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

4,4-Ethylendioxy-1-(5-oxohexanoyl)cyclohexene
SpectraBase Compound ID 2RPIJLh3UPu
InChI InChI=1S/C14H20O4/c1-11(15)3-2-4-13(16)12-5-7-14(8-6-12)17-9-10-18-14/h5H,2-4,6-10H2,1H3
InChIKey WVSAPRNKVNYSSY-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5yYQQI6Xb50
Name 4,4-Ethylendioxy-1-(5-oxohexanoyl)cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.136159120 u
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-11(15)3-2-4-13(16)12-5-7-14(8-6-12)17-9-10-18-14/h5H,2-4,6-10H2,1H3
InChIKey WVSAPRNKVNYSSY-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES C1(=CCC2(CC1)OCCO2)C(CCCC(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898488