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5,5-Dimethyl-2-(2-nitrophenyl)-1,3-dioxane
SpectraBase Compound ID 8XaLHLF2xzI
InChI InChI=1S/C12H15NO4/c1-12(2)7-16-11(17-8-12)9-5-3-4-6-10(9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKey PSKJVABQWREEDF-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 AQZTT8Ndad2
Name 5,5-Dimethyl-2-(2-nitrophenyl)-1,3-dioxane
Appearance Yellow solid
Copyright Copyright © 2020-2024 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)9-5-3-4-6-10(9)13(14)15/h3-6,11H,7-8H2,1-2H3
InChIKey PSKJVABQWREEDF-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 315
SMILES CC1(COC(OC1)C1=C(C=CC=C1)[N+](=O)[O-])C
SPLASH splash10-0zni-5920000000-0722b89dbd8ad98dcc44
Source of Spectrum QE-29-SM12-2g (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.48 (PE/EtOAc, 95:5)
Wiley ID 1910290