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1,8-Dichloro-2-phenyl-5-methyl-3,6-dioxanonane

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

1,8-Dichloro-2-phenyl-5-methyl-3,6-dioxanonane
SpectraBase Compound ID D0hH4BjXGnU
InChI InChI=1S/C14H20Cl2O2/c1-11(16)9-17-12(2)10-18-14(8-15)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKey JGOULROUUMECKA-UHFFFAOYSA-N
Mol Weight 291.22 g/mol
Molecular Formula C14H20Cl2O2
Exact Mass 290.084035 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D0caYSbfFz4
Name 1,8-Dichloro-2-phenyl-5-methyl-3,6-dioxanonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.084035282 u
Formula C14H20Cl2O2
InChI InChI=1S/C14H20Cl2O2/c1-11(16)9-17-12(2)10-18-14(8-15)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKey JGOULROUUMECKA-UHFFFAOYSA-N
SMILES C(OCC(OCC(Cl)C)C)(C=1C=CC=CC1)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872631