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3-isoamyl-4,4-dimethyl-octane-2,7-dione
SpectraBase Compound ID 1j1rYugc3AU
InChI InChI=1S/C15H28O2/c1-11(2)7-8-14(13(4)17)15(5,6)10-9-12(3)16/h11,14H,7-10H2,1-6H3
InChIKey PKEOTWDRRFZAIM-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g9u7nqEVB5
Name 3-isoamyl-4,4-dimethyl-octane-2,7-dione
Alternate Name(s) 3-isopentyl-4,4-dimethyl-octane-2,7-dione 4,4-Dimethyl-3-(3-methylbutyl)octane-2,7-dione
CAS Registry Number 98419-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-11(2)7-8-14(13(4)17)15(5,6)10-9-12(3)16/h11,14H,7-10H2,1-6H3
InChIKey PKEOTWDRRFZAIM-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
SMILES C(C(CCC(=O)C)(C)C)(CCC(C)C)C(=O)C
SPLASH splash10-0006-9100000000-ef8326557a0852719a05
Source of Spectrum H-68-647-27
Wiley ID 1243381