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1,4-Dioxane-2,5-dione, 3,6-diethyl-
SpectraBase Compound ID BfthOS8mUwU
InChI InChI=1S/C8H12O4/c1-3-5-7(9)12-6(4-2)8(10)11-5/h5-6H,3-4H2,1-2H3
InChIKey ISCAXHDGLQCSEG-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98nEAO3lkz2
Name 1,4-Dioxane-2,5-dione, 3,6-diethyl-
Alternate Name(s) 3,6-Diethyl-1,4-dioxane-2,5-dione 3,6-Diethyl-1,4-dioxane-2,5-quinone Butanoic acid, 2-hydroxy-, bimol. cyclic ester p-Dioxane-2,5-dione, 3,6-diethyl-
CAS Registry Number 4374-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-3-5-7(9)12-6(4-2)8(10)11-5/h5-6H,3-4H2,1-2H3
InChIKey ISCAXHDGLQCSEG-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES C(C)C1C(=O)OC(CC)C(O1)=O
SPLASH splash10-0ab9-9100000000-9fe9ef6aa6d1c772131f
Source of Spectrum O-2-895-4
Wiley ID 1168457