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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 FDlt1mEQSki
Name Heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
Instrument Name Hewlett Packard model 5973-6890
Ionization Type EI
Literature Reference DOI 10.1021/np0600797
Molecular Weight 114.188 g/mol
SMILES CCC(CCCC)=O
SPLASH splash10-0a4i-9000000000-63424a847593011cb416
Source of Spectrum G4-69-SM3-3-1
Wiley ID 1874212