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2,4,4,5,5-Pentamethyl-3-hexanone
SpectraBase Compound ID BOaMx4ezHX
InChI InChI=1S/C11H22O/c1-8(2)9(12)11(6,7)10(3,4)5/h8H,1-7H3
InChIKey ZZFNRBCCYRXMMN-UHFFFAOYSA-N
Mol Weight 170.3 g/mol
Molecular Formula C11H22O
Exact Mass 170.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fqSxkbetqW
Name 2,4,4,5,5-Pentamethyl-3-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O
InChI InChI=1S/C11H22O/c1-8(2)9(12)11(6,7)10(3,4)5/h8H,1-7H3
InChIKey ZZFNRBCCYRXMMN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801131208
Molecular Weight 170.296 g/mol
SMILES C(C(C(C(C)C)=O)(C)C)(C)(C)C
SPLASH splash10-0a4i-9100000000-9fd7c531f30f25f80274
Source of Spectrum K-113-3753-34
Synonyms 2,4,4,5,5-pentamethylhexan-3-one
Wiley ID 1792625