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Propanoic acid, 3-[2-(1,1-dimethylethyl)-6-oxo-1,3-dioxan-4-yl]
SpectraBase Compound ID 8oWGj1cpiZI
InChI InChI=1S/C12H20O5/c1-12(2,3)11-16-8(7-10(14)17-11)5-6-9(13)15-4/h8,11H,5-7H2,1-4H3
InChIKey SJCSCPHQERDSCW-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yQQVtbRc6f
Name Propanoic acid, 3-[2-(1,1-dimethylethyl)-6-oxo-1,3-dioxan-4-yl]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-12(2,3)11-16-8(7-10(14)17-11)5-6-9(13)15-4/h8,11H,5-7H2,1-4H3
InChIKey SJCSCPHQERDSCW-UHFFFAOYSA-N
Molecular Weight 244.287 g/mol
SMILES C1(OC(=O)CC(O1)CCC(=O)OC)C(C)(C)C
SPLASH splash10-0btc-9600000000-4a59f9b2e8c3e77f76e0
Synonyms 3-(2-tert-butyl-6-keto-1,3-dioxan-4-yl)propionic acid methyl ester 3-(2-tert-butyl-6-oxo-1,3-dioxan-4-yl)propanoic acid methyl ester Methyl 3-(2-tert-butyl-6-oxidanylidene-1,3-dioxan-4-yl)propanoate Methyl 3-(2-tert-butyl-6-oxo-1,3-dioxan-4-yl)propanoate
Wiley ID 1477792