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5-Methyl-3-hexanone

View entire compound with spectra: 5 NMR, 2 FTIR, and 8 MS (GC)

5-Methyl-3-hexanone
SpectraBase Compound ID 70X6vmGKLxm
InChI InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey DXVYLFHTJZWTRF-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k4h08zgo5Q
Name 5-METHYL-3-HEXANONE
CAS Registry Number 7379-12-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey DXVYLFHTJZWTRF-UHFFFAOYSA-N
Literature Reference Author C.DELSETH,J.P.KINTZINGER
Literature Reference Citation HELV.CHIM.ACTA,59,466(1976)
Literature Reference DOI 10.1002/hlca.19760590213
Solvent Unknown
Source File Reference UNIO63