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4-Heptanone
SpectraBase Compound ID HbVbyzrnP8C
InChI InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKey HCFAJYNVAYBARA-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 BnecjUkirw3
Name 4-Heptanone
CAS Registry Number 123-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKey HCFAJYNVAYBARA-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CCCC(=O)CCC
SPLASH splash10-006x-9000000000-54764892ae2b95deef99
Synonyms (N-C3H7)2CO Butyrone Di-n-propyl ketone Dipropyl ketone GBL Heptan-4-one Propyl ketone AI3-15181 BRN 1699049 EINECS 204-608-9 FEMA NO. 2546 NSC 8692 UN2710
Wiley ID 1490958