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3-Acetyl-butanone-2

View entire compound with spectra: 11 NMR, 3 FTIR, and 10 MS (GC)

3-Acetyl-butanone-2
SpectraBase Compound ID 4ReOdM80rp
InChI InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
InChIKey GSOHKPVFCOWKPU-UHFFFAOYSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8jret2gkp6L
Name 3-Methyl-2,4-pentanedione, mixture of tautomers
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 282855
CAS Registry Number 815-57-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
InChIKey GSOHKPVFCOWKPU-UHFFFAOYSA-N
Observed nucleus 13C
Purity 85%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005279