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2,4-Pentanedione, 3-(phenylmethyl)-
SpectraBase Compound ID FfOy6K49zXG
InChI InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey WAJQTBOWJRUOOO-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJRrw3AhByF
Name 2,4-Pentanedione, 3-(phenylmethyl)-
Alternate Name(s) 2,4-Pentanedione, 3-benzyl- 3-(Phenylmethyl)pentane-2,4-dione 3-Benzyl-2,4-pentanedione 3-Benzylpentane-2,4-dione AI3-18949 NSC 35139
CAS Registry Number 1134-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey WAJQTBOWJRUOOO-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES CC(C(Cc1ccccc1)C(C)=O)=O
SPLASH splash10-0002-1900000000-6e13e327a833e9562b80
Source of Spectrum F-53-14804-12
Wiley ID 804101