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1,3-Dioxane-2-butanoic acid, .alpha.-acetyl-2,5,5-trimethyl-, methyl ester
SpectraBase Compound ID KDZZSKauMDf
InChI InChI=1S/C14H24O5/c1-10(15)11(12(16)17-5)6-7-14(4)18-8-13(2,3)9-19-14/h11H,6-9H2,1-5H3
InChIKey LBRVZPSREYJVLS-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 QsJf9bJZWx
Name 1,3-Dioxane-2-butanoic acid, .alpha.-acetyl-2,5,5-trimethyl-, methyl ester
Alternate Name(s) Methyl 3-oxo-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]butanoate Methyl ester of 2-acetyl-4-(2',5',5'-trimethyl-1',3'-dioxan-2'-yl)butanoic acid
CAS Registry Number 69269-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-10(15)11(12(16)17-5)6-7-14(4)18-8-13(2,3)9-19-14/h11H,6-9H2,1-5H3
InChIKey LBRVZPSREYJVLS-UHFFFAOYSA-N
Molecular Weight 272.341 g/mol
SMILES C(C(=O)OC)(CCC1(OCC(CO1)(C)C)C)C(=O)C
SPLASH splash10-054o-7910000000-d7491a8e7e90a1d3ba0d
Source of Spectrum H-61-2404-0
Wiley ID 1276016