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1-Phenyl-1,3-butanedione

View entire compound with spectra: 6 NMR, 5 FTIR, 2 Raman, and 10 MS (GC)

1-Phenyl-1,3-butanedione
SpectraBase Compound ID 7o56SBzg3BH
InChI InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey CVBUKMMMRLOKQR-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5GBxuhq8W8r
Name 1-Phenyl-1,3-butanedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B11907
CAS Registry Number 93-91-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI 1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey CVBUKMMMRLOKQR-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzoylacetone
Wiley ID SIAL_1HNMR_010732