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4-Heptanone

View entire compound with spectra: 17 NMR, 15 FTIR, 2 Raman, 22 MS (GC), and 2 Near IR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InFefLy11UI
Name 4-OXOHEPTAN
Compound Number 21
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author B.S.HENSERSON,B.S.LARSEN,J.M.SCHWAB
Literature Reference Citation J.AM.CHEM.SOC.,116,5025(1994)
Literature Reference DOI 10.1021/ja00091a001
Molecular Weight 114.188 g/mol
Solvent CDCl3
Source File Reference UWSI663