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5,5-Dimethyl-2-(4-nitrophenyl)-1,3-dioxane
SpectraBase Compound ID HpwW25UuDe4
InChI InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-3-5-10(6-4-9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKey RZNYEPDJXZTRBD-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DM9UqWXWo6x
Name 5,5-Dimethyl-2-(4-nitrophenyl)-1,3-dioxane
Appearance Slightly yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.100107963 u
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-3-5-10(6-4-9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKey RZNYEPDJXZTRBD-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 237.255 g/mol
Quality 186
SMILES CC1(COC(OC1)C1=CC=C(C=C1)[N+](=O)[O-])C
SPLASH splash10-0a4i-9430000000-fb696e57037310d28dc5
Source of Spectrum QE-29-SM11-2e (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.25 (pentane/Et2O, 95:5)
Wiley ID 1910288