For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4-Pentanedione

View entire compound with spectra: 63 NMR, 9 FTIR, 2 UV-Vis, 22 MS (GC), and 2 Near IR

2,4-Pentanedione
SpectraBase Compound ID 6dbyP4ZvlVQ
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6aKl7SMl47K
Name ACETYLACETONE
CAS Registry Number 123-54-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
Literature Reference Author S.SELTZER
Literature Reference Citation J.ORG.CHEM.,46,2643(1981)
Literature Reference DOI 10.1021/jo00326a007
Molecular Weight 100.117 g/mol
Solvent CDCl3
Source File Reference UNIW20145