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4,4-Dimethyl-1-phenyl-1,3-pentanedione
SpectraBase Compound ID DW9jDmuxkg0
InChI InChI=1S/C13H16O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey HORVLKADAZQYRS-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OCE5HqfkWq
Name 1,3-PENTANEDIONE, 4,4-DIMETHYL-1-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey HORVLKADAZQYRS-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 204.1146
SMILES c1cc(C(CC(C(C)(C)C)=O)=O)ccc1
SPLASH splash10-00kb-9800000000-42a7ca623531415727ce
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany