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1,3-Dioxane-2-hexanoic acid, 2,5,5-trimethyl-.beta.-oxo-, methyl ester
SpectraBase Compound ID HUKx5eYpOQk
InChI InChI=1S/C14H24O5/c1-13(2)9-18-14(3,19-10-13)7-5-6-11(15)8-12(16)17-4/h5-10H2,1-4H3
InChIKey ODNPQHUOJMQYTL-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmFnr736t76
Name 1,3-Dioxane-2-hexanoic acid, 2,5,5-trimethyl-.beta.-oxo-, methyl ester
CAS Registry Number 69269-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-13(2)9-18-14(3,19-10-13)7-5-6-11(15)8-12(16)17-4/h5-10H2,1-4H3
InChIKey ODNPQHUOJMQYTL-UHFFFAOYSA-N
Molecular Weight 272.341 g/mol
SMILES C1(OCC(CO1)(C)C)(CCCC(CC(=O)OC)=O)C
SPLASH splash10-05r3-6920000000-e1c4890c592f8eb76333
Source of Spectrum H-61-2404-0
Synonyms Methyl 3-oxo-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanoate Methyl ester of 3-oxo-6-(2',5',5'-trimethyl-1',3'-dioxan-2'-yl)hexanoic acid
Wiley ID 1276015