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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjAEZUkItyO
Name 1,3-Butanedione, 1-phenyl-
Alternate Name(s) .alpha.-Acetylacetophenone 1-Benzoyl-2-propanone 1-Benzoylacetone 1-Phenyl-1,3-butanedione 1-Phenylbutane-1,3-dione 2-Acetylacetophenone 2-Propanone, benzoyl- Acetoacetophenone Acetylbenzoylmethane Benzoyl-aceton Benzoylacetone AI3-10572 BRN 0742413 EINECS 202-286-4 NSC 4015
CAS Registry Number 93-91-4
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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
Molecular Weight 162.188 g/mol
SMILES CC(CC(=O)c1ccccc1)=O
SPLASH splash10-03di-5900000000-b602075df4637c15385b
Source of Spectrum IC-297-0-0
Wiley ID 1158574