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3-butyl-2,4-pentanedione
SpectraBase Compound ID IVK3D0TzCu3
InChI InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3
InChIKey MBXOOYPCIDHXGH-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qrjhb8TuNR
Name 2,4-Pentanedione, 3-butyl-
Alternate Name(s) 3-Acetyl-2-heptanone 3-Butyl-2,4-pentanedione 3-Butylacetylacetone 3-Butylpentane-2,4-dione 3-Butylpentanedione-2,4 3-n-Butyl-2,4-pentanedione AI3-19271 EINECS 216-274-1
CAS Registry Number 1540-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3
InChIKey MBXOOYPCIDHXGH-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
SMILES CC(C(CCCC)C(C)=O)=O
SPLASH splash10-0006-9100000000-7a1fc768cafab639632a
Source of Spectrum O-22-495-4
Wiley ID 1153667