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Ethyl (3,3-diethoxy-2-oxocyclohexyl)acetate

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

Ethyl (3,3-diethoxy-2-oxocyclohexyl)acetate
SpectraBase Compound ID nX24tfvtFK
InChI InChI=1S/C14H24O5/c1-4-17-12(15)10-11-8-7-9-14(13(11)16,18-5-2)19-6-3/h11H,4-10H2,1-3H3
InChIKey PBWWMFAIUUHROR-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2dYtPsdIXo9
Name Ethyl (3,3-diethoxy-2-oxocyclohexyl)acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.162373868 u
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-4-17-12(15)10-11-8-7-9-14(13(11)16,18-5-2)19-6-3/h11H,4-10H2,1-3H3
InChIKey PBWWMFAIUUHROR-UHFFFAOYSA-N
Molecular Weight 272.341 g/mol
SMILES C1(C(OCC)(OCC)CCCC1CC(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944921