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3-Heptanone
SpectraBase Compound ID LpDpVniVy74
InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5p3kUHu5pJr
Name Ethyl butyl ketone
Source of Sample SAFC Cat.no. W254509
CAS Registry Number 106-35-4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
Number of Peaks 50
RI1 885
RI2 549
RI3 556
RI4 503
SMILES CCCCC(CC)=O
SPLASH splash10-0a4i-9000000000-e1fa1f1d51431d8f6e95
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 3-Heptanone
Wiley ID LM_FFNSC3_214