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5,5-DIMETHYL-m-DIOXANE-2-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID IBCi6pNuiYj
InChI InChI=1S/C8H14O4/c1-8(2)4-11-7(12-5-8)6(9)10-3/h7H,4-5H2,1-3H3
InChIKey SSLHZVOSMAUWKU-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgpN8V8pWrQ
Name 5,5-DIMETHYL-m-DIOXANE-2-CARBOXYLIC ACID, METHYL ESTER
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1980)
CAS Registry Number 57985-22-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-8(2)4-11-7(12-5-8)6(9)10-3/h7H,4-5H2,1-3H3
InChIKey SSLHZVOSMAUWKU-UHFFFAOYSA-N
Molecular Weight 174.20
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms M-DIOXANE-2-CARBOXYLIC ACID, 5,5-DIMETHYL-, METHYL ESTER