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4-Hydroxy-2,2,5-trimethyl-3-hexanone
SpectraBase Compound ID J1d9jeBrdm9
InChI InChI=1S/C9H18O2/c1-6(2)7(10)8(11)9(3,4)5/h6-7,10H,1-5H3
InChIKey WHFDOTSMRNAFHN-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W92e1gpQe
Name 4-Hydroxy-2,2,5-trimethyl-3-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-6(2)7(10)8(11)9(3,4)5/h6-7,10H,1-5H3
InChIKey WHFDOTSMRNAFHN-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(C(C)(C)C)=O)C(C)C
SPLASH splash10-0f7y-9000000000-dba11d6307d9429ef827
Source of Spectrum F-54-12023-10
Synonyms 4-Hydroxy-2,2,5-trimethylhexan-3-one 2,2,5-trimethyl-4-oxidanyl-hexan-3-one
Wiley ID 809014