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5-Methyl-5-nitro-2-phenyl-1,3-dioxane
SpectraBase Compound ID 1psiTyNfhaH
InChI InChI=1S/C11H13NO4/c1-11(12(13)14)7-15-10(16-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey DOQXGNKUXOJWPP-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VrKww8Ac2R
Name 5-Methyl-5-nitro-2-phenyl-1,3-dioxane
Alternate Name(s) 1,3-Dioxane, 5-methyl-5-nitro-2-phenyl-
CAS Registry Number 34817-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-11(12(13)14)7-15-10(16-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey DOQXGNKUXOJWPP-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES c1ccc(C2OCC(N(=O)=O)(CO2)C)cc1
SPLASH splash10-0a4i-9600000000-2bd20cc609e6dc3fda0f
Source of Spectrum AD-0-2532-0
Wiley ID 1419277