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Butanedioic acid, tetramethyl-, monobutyl ester
SpectraBase Compound ID HUnevIFjka
InChI InChI=1S/C12H22O4/c1-6-7-8-16-10(15)12(4,5)11(2,3)9(13)14/h6-8H2,1-5H3,(H,13,14)
InChIKey SYTOZDBLWFFLIA-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VM45laweNC
Name Butanedioic acid, tetramethyl-, monobutyl ester
Alternate Name(s) 4-Butoxy-2,2,3,3-tetramethyl-4-oxobutanoic acid Butyl 2-hydroxycarbonyl-2,3-dimethylbutane-3-carboxylate Butyl hydrogen tetramethylsuccinate
CAS Registry Number 115191-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-6-7-8-16-10(15)12(4,5)11(2,3)9(13)14/h6-8H2,1-5H3,(H,13,14)
InChIKey SYTOZDBLWFFLIA-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC(C(C(C(=O)OCCCC)(C)C)(C)C)=O
SPLASH splash10-052r-9600000000-81fcd879646445e48dcb
Source of Spectrum B-40-1638-3
Wiley ID 1231666