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3-Heptanone, 2,4-dimethyl-
SpectraBase Compound ID 7nIqDwllrfY
InChI InChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MMEXTUAHJZOQKN-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IV5HpsIZ4Mg
Name 3-Heptanone, 2,4-dimethyl-
Alternate Name(s) 2,4-Dimethyl-3-heptanone 2,4-Dimethylheptan-3-one
CAS Registry Number 18641-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O
InChI InChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3
InChIKey MMEXTUAHJZOQKN-UHFFFAOYSA-N
Molecular Weight 142.242 g/mol
SMILES CCCC(C)C(=O)C(C)C
SPLASH splash10-006x-9000000000-e594312f7c58f90f46f7
Source of Spectrum SD-1981-0-0
Wiley ID 1141487