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5,5-Dimethylhexan-2-one
SpectraBase Compound ID LGeB0SN85Tr
InChI InChI=1S/C8H16O/c1-7(9)5-6-8(2,3)4/h5-6H2,1-4H3
InChIKey YPNIJJDUDQZZBP-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BtJuJz7cLd
Name 5,5-Dimethylhexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-7(9)5-6-8(2,3)4/h5-6H2,1-4H3
InChIKey YPNIJJDUDQZZBP-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4sc01732c
Molecular Weight 128.215 g/mol
SMILES C(CCC(C)=O)(C)(C)C
SPLASH splash10-052f-9000000000-3644369ebe56aad250fa
Source of Spectrum CSS-5-3983/SMS11-4t
Synonyms 5,5-Dimethyl-2-hexanone
Wiley ID 1755113