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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 GEv8qSKEJ5j
Name 3-Heptanone
Comments MONAID: JP006453
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
Ionization Type EI-B
Molecular Weight 114.188 g/mol
SMILES CCCCC(=O)CC
SPLASH splash10-0a6r-9000000000-474bc7cb4b2d4a6bd7f0
Source of Spectrum SRH-2022-6453-0
Wiley ID 1828283