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Acetoacetic acid, 2-ethyl-, tert-butyl ester; butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester; tert-butyl-2-ethylacetoacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Acetoacetic acid, 2-ethyl-, tert-butyl ester; butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester; tert-butyl-2-ethylacetoacetate
SpectraBase Compound ID GMWq1uTAMgP
InChI InChI=1S/C10H18O3/c1-6-8(7(2)11)9(12)13-10(3,4)5/h8H,6H2,1-5H3
InChIKey GZNGAPMYYKLDEP-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID D60RrwEs7sC
Name Acetoacetic acid, 2-ethyl-, tert-butyl ester; butanoic acid, 2-ethyl-3-oxo-, 1,1-dimethylethyl ester; tert-butyl-2-ethylacetoacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-6-8(7(2)11)9(12)13-10(3,4)5/h8H,6H2,1-5H3
InChIKey GZNGAPMYYKLDEP-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(C(C(=O)OC(C)(C)C)C(C)=O)C
Spectrum/Structure Validation Score (Raman) 0.945334