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4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3-dioxolane

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

4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3-dioxolane
SpectraBase Compound ID FqjwFjyv1Wd
InChI InChI=1S/C13H17NO4/c1-12(2)13(3,4)18-11(17-12)9-5-7-10(8-6-9)14(15)16/h5-8,11H,1-4H3
InChIKey LZEKVKFGECEUKA-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5142UyEFqWr
Name 4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3-dioxolane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-12(2)13(3,4)18-11(17-12)9-5-7-10(8-6-9)14(15)16/h5-8,11H,1-4H3
InChIKey LZEKVKFGECEUKA-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES C1(N(=O)=O)=CC=C(C2OC(C)(C)C(O2)(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840383