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2-Heptanone
SpectraBase Compound ID C6OKgGqzGsw
InChI InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-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 BxJJBwVxk2A
Name 2-Heptanone
Comments MONAID: JP009755
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey CATSNJVOTSVZJV-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 114.188 g/mol
SMILES CCCCCC(C)=O
SPLASH splash10-0a4i-9000000000-b0b4e941ffc8b30dc6a5
Source of Spectrum SRH-2022-9755-0
Wiley ID 1831397