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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DoxLOz7bIdH
Name 1-Phenyl-1,3-butanedione
Source of Sample Aldrich
Catalog Number B11907
CAS Registry Number 93-91-4
Classification Aromatic ketones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
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
Purity 99%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzoylacetone
Technique Mull
Wiley ID SIAL_FTIR_1_8826