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2-Ethyl-acetoacetic acid, ethyl ester

View entire compound with spectra: 6 NMR, 3 FTIR, 1 Raman, and 3 MS (GC)

2-Ethyl-acetoacetic acid, ethyl ester
SpectraBase Compound ID 6QYy7JTSgqz
InChI InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChIKey OKANYBNORCUPKZ-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIVkzXpo7mN
Name butanoic acid, 2-ethyl-3-oxo-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 158.094294308 u
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChIKey OKANYBNORCUPKZ-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5621
Solvent DMSO-d6
Source Vendor ID: NMR/13289067