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3-(3-Ethyl-5-methyl-2-furanyl)-2,4-pentanedione
SpectraBase Compound ID ElKXSplsb7q
InChI InChI=1S/C12H16O3/c1-5-10-6-7(2)15-12(10)11(8(3)13)9(4)14/h6,11H,5H2,1-4H3
InChIKey DUDHPLHEKBTWAE-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgDuAjAEZf8
Name 3-(3-Ethyl-5-methyl-2-furanyl)-2,4-pentanedione
CAS Registry Number 77572-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-10-6-7(2)15-12(10)11(8(3)13)9(4)14/h6,11H,5H2,1-4H3
InChIKey DUDHPLHEKBTWAE-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES c1(C(C(=O)C)C(=O)C)c(cc(o1)C)CC
SPLASH splash10-0006-9730000000-c05ef6dd99189f7ca7d2
Source of Spectrum J-46-3229-0
Synonyms 3-(3-Ethyl-5-methyl-2-furyl)-2,4-pentanedione
Wiley ID 1206750