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1,2-Pentanedione, 1-phenyl-
SpectraBase Compound ID 4MJkENtsedN
InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey PPUJONYIVOFJLM-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2x5uRkCSpf
Name 1,2-Pentanedione, 1-phenyl-
CAS Registry Number 20895-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKey PPUJONYIVOFJLM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201029p
Molecular Weight 176.215 g/mol
SMILES c1cc(ccc1)C(C(=O)CCC)=O
SPLASH splash10-0a6r-7900000000-9f5e1ce0cb0b7b7ca9fc
Source of Spectrum J-76-6960-2n
Synonyms 1-Phenyl-1,2-pentanedione 1-Phenylpentane-1,2-dione
Wiley ID 1746777