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Ethyl 4,9-dimethyl-3,5-dioxabicyclo[4.3.0]nonan-9-acetate

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

Ethyl 4,9-dimethyl-3,5-dioxabicyclo[4.3.0]nonan-9-acetate
SpectraBase Compound ID 8LyPesPNFbX
InChI InChI=1S/C13H22O4/c1-4-15-12(14)7-13(3)6-5-11-10(13)8-16-9(2)17-11/h9-11H,4-8H2,1-3H3
InChIKey GSWQHCHGHLBYMT-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4rWbYLk7sKB
Name Ethyl 4,9-dimethyl-3,5-dioxabicyclo[4.3.0]nonan-9-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.151809184 u
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-15-12(14)7-13(3)6-5-11-10(13)8-16-9(2)17-11/h9-11H,4-8H2,1-3H3
InChIKey GSWQHCHGHLBYMT-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C12COC(OC2CCC1(CC(=O)OCC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.990395