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mono-tert-Butyl malonate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

mono-tert-Butyl malonate
SpectraBase Compound ID BGapknl132B
InChI InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
InChIKey NGGGZUAEOKRHMA-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ezDWPzIc4y
Name 3-tert-Butoxy-3-oxopropanoic acid
Alternate Name(s) 3-tert-Butoxy-3-keto-propionic acid 3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid Propanedioic acid, mono(1,1-dimethylethyl) ester
CAS Registry Number 40052-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O4
InChI InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
InChIKey NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Weight 160.169 g/mol
SMILES OC(=O)CC(=O)OC(C)(C)C
SPLASH splash10-0a4l-9000000000-0759373f780fe4f18452
Wiley ID 1488371