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3-Benzylidene-2,4-pentanedione
SpectraBase Compound ID JmTYa2OCaXo
InChI InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey NYRGMNMVISROGJ-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YkiSlZulKv
Name 3-Benzylidene-2,4-pentanedione
CAS Registry Number 4335-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey NYRGMNMVISROGJ-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C(=Cc1ccccc1)(C(=O)C)C(=O)C
SPLASH splash10-0006-9800000000-db16dc10479c992d7693
Source of Spectrum C5-2003-558-3
Synonyms 1,1-Diacetyl-2-phenylethylene 2,4-Pentanedione, 3-(phenylmethylene)- 2,4-Pentanedione, 3-benzylidene- 2-Acetyl-1-phenyl but-1-en-3-one 3-(Phenylmethylene)pentane-2,4-dione 3-(Phenylmethylidene)pentane-2,4-dione 3-Benzalpentane-2,4-dione 3-Benzylideneacetylacetone 3-Benzylidenepentane-2,4-dione Benzalacetylacetone Benzylidene acetylacetone
Wiley ID 1615531