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3-ketobutanethioic acid S-tert-butyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, and 2 MS (GC)

3-ketobutanethioic acid S-tert-butyl ester
SpectraBase Compound ID LUAUKbFeQq4
InChI InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey FXOMETKMHQLOHH-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEJx3CNRJst
Name S-tert-Butyl acetothioacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 323632
CAS Registry Number 15925-47-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey FXOMETKMHQLOHH-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006347