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3-Heptanone

View entire compound with spectra: 14 NMR, 14 FTIR, 1 Raman, 26 MS (GC), and 2 Near IR

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 Eobepln7IkM
Name 3-Heptanone
CAS Registry Number 106-35-4
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
Molecular Weight 114.188 g/mol
SMILES CCCCC(=O)CC
SPLASH splash10-0a6r-9000000000-415d5655fa9af29bb2fa
Synonyms Aethylbutylketon Butyl ethyl ketone Eptan-3-one Ethyl butyl ketone Ethyl butyl ketone 3-heptanone Ethyl n-butyl ketone Ethylbutylcetone Ethylbutylketon Etilbutilchetone Heptan-3-on Heptan-3-one n-Butyl ethyl ketone N-C4H9COC2H5 n-Heptan-3-one AI3-19684 BRN 0506161 EINECS 203-388-1 FEMA NO. 2545 HSDB 1816 NSC 8448
Wiley ID 1506864