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2-(2-Chloro-phenyl)-5,5-dimethyl-1,3-dioxane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2-(2-Chloro-phenyl)-5,5-dimethyl-1,3-dioxane
SpectraBase Compound ID Ju2qHI9m96X
InChI InChI=1S/C12H15ClO2/c1-12(2)7-14-11(15-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3
InChIKey DOQQQRVVSQIZOK-UHFFFAOYSA-N
Mol Weight 226.7 g/mol
Molecular Formula C12H15ClO2
Exact Mass 226.076057 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5pbGBQfi80i
Name 1,3-Dioxane, 2-(2-chlorophenyl)-5,5-dimethyl-; 2-(2-chlorophenyl)-5,5-dimethyl-1,3-dioxane; m-dioxane, 2-(o-chlorophenyl)-5,5-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.076057421 u
Formula C12H15ClO2
InChI InChI=1S/C12H15ClO2/c1-12(2)7-14-11(15-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3
InChIKey DOQQQRVVSQIZOK-UHFFFAOYSA-N
Molecular Weight 226.703 g/mol
SMILES C1(C2=C(C=CC=C2)Cl)OCC(CO1)(C)C
Spectrum/Structure Validation Score (Raman) 0.95127